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1H-Benzocycloheptene-2-carboxylic acid, 5,6,7,8,9,9a-hexahydro-, (.+-.)-
SpectraBase Compound ID LeijuLEpR8w
InChI InChI=1S/C12H16O2/c13-12(14)11-7-6-9-4-2-1-3-5-10(9)8-11/h6-7,10H,1-5,8H2,(H,13,14)
InChIKey QTMQMGRDLWLECX-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yqmoCs6nvO
Name 1H-Benzocycloheptene-2-carboxylic acid, 5,6,7,8,9,9a-hexahydro-, (.+-.)-
Alternate Name(s) 5,6,7,8,9,9a-hexahydro-1H-benzocycloheptene-2-carboxylic acid 5,6,7,8,9,9a-hexahydro-1H-benzo[a]cycloheptene-2-carboxylic acid
CAS Registry Number 126090-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c13-12(14)11-7-6-9-4-2-1-3-5-10(9)8-11/h6-7,10H,1-5,8H2,(H,13,14)
InChIKey QTMQMGRDLWLECX-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES OC(C1=CC=C2C(C1)CCCCC2)=O
SPLASH splash10-0006-9800000000-d943d24dc6feb915d9b1
Source of Spectrum H-72-900-27
Wiley ID 1188708