MCM (v3.3.1)
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MCM (v3.3.1)
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NPETOL1O
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Species information
Smiles: CCc1ccc(C)c(N(=O)=O)c1[O]
InChI: InChI=1S/C9H10NO3/c1-3-7-5-4-6(2)8(9(7)11)10(12)13/h4-5H,3H2,1-2H3
Mass: 180.1806
Synonyms:
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Reactions
NPETOL1O
+
NO2
→
2.08
×
10
A
−
12
DNPETOL
Doc
NPETOL1O
+
O3
→
2.86
×
10
A
−
13
NPETOL1O2
Doc
Precursors
Show precursor reactions
PET1OHNO2
+
NO3
→
3.13
×
10
A
−
13
NPETOL1O
+
HNO3
Doc
NPETOL1O2
+
NO
→
KRO2NO
NPETOL1O
+
NO2
Doc
NPETOL1O2
+
NO3
→
KRO2NO3
NPETOL1O
+
NO2
Doc
NPETOL1O2
→
2.50
×
10
A
−
13
⋅
RO2
NPETOL1O
Doc
NPETOL1OOH
→
J
<
41
>
NPETOL1O
+
OH
Doc
PET1OHNO2
+
OH
→
1.53
×
10
A
−
12
NPETOL1O
Doc
1
2
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