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3-Methyl-1-nitrocycloheptene
SpectraBase Compound ID 4lgsulBShv8
InChI InChI=1S/C8H13NO2/c1-7-4-2-3-5-8(6-7)9(10)11/h6-7H,2-5H2,1H3
InChIKey PEHWUSZFZZWLSI-UHFFFAOYSA-N
Mol Weight 155.2 g/mol
Molecular Formula C8H13NO2
Exact Mass 155.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS9ahiYkS6d
Name 3-Methyl-1-nitrocycloheptene
CAS Registry Number 112683-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO2
InChI InChI=1S/C8H13NO2/c1-7-4-2-3-5-8(6-7)9(10)11/h6-7H,2-5H2,1H3
InChIKey PEHWUSZFZZWLSI-UHFFFAOYSA-N
Molecular Weight 155.197 g/mol
SMILES C1(N(=O)=O)=CC(C)CCCC1
SPLASH splash10-05ox-9200000000-a5164557bc820289e6a3
Source of Spectrum J-53-1262-12
Synonyms 3-Methyl-1-nitro-1-cycloheptene
Wiley ID 1152766