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Methyl cycloheptatriene-7-carboxylate
SpectraBase Compound ID BnlsebZbk5d
InChI InChI=1S/C9H10O2/c1-11-9(10)8-6-4-2-3-5-7-8/h2-8H,1H3
InChIKey KBZSIBZTASZFGF-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DjgdCJRusXQ
Name Methyl cycloheptatriene-7-carboxylate
CAS Registry Number 32399-46-5
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-11-9(10)8-6-4-2-3-5-7-8/h2-8H,1H3
InChIKey KBZSIBZTASZFGF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.177 g/mol
Nominal Mass 150 u
Quality 987
Retention Index 1083
SMILES C1(C(OC)=O)C=CC=CC=C1
SPLASH splash10-0006-9200000000-e72a07a170c9108e30a5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl cyclohepta-2,4,6-triene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_005286