MCM (v3.3.1)
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MCM (v3.3.1)
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PET1O
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Species information
Smiles: CCc1ccc(C)cc1[O]
InChI: InChI=1S/C9H11O/c1-3-8-5-4-7(2)6-9(8)10/h4-6H,3H2,1-2H3
Mass: 135.183
Synonyms:
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Reactions
PET1O
+
O3
→
2.86
×
10
A
−
13
PET1O2
Doc
PET1O
+
NO2
→
2.08
×
10
A
−
12
PET1OHNO2
Doc
Precursors
Show precursor reactions
PETOH
+
OH
→
8.20
×
10
A
−
11
⋅
0.07
PET1O
Doc
PETOH
+
NO3
→
3.48
×
10
A
−
11
⋅
0.39
PET1O
+
HNO3
Doc
PET1O2
+
NO
→
KRO2NO
PET1O
+
NO2
Doc
PET1O2
+
NO3
→
KRO2NO3
PET1O
+
NO2
Doc
PET1O2
→
2.50
×
10
A
−
13
⋅
RO2
PET1O
Doc
PET1OOH
→
J
<
41
>
PET1O
+
OH
Doc
1
2
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