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5,6,7,8,9,9a-hexahydro-1H-benzocycloheptene-2-carboxylic acid methyl ester
SpectraBase Compound ID EmLyTfivest
InChI InChI=1S/C13H18O2/c1-15-13(14)12-8-7-10-5-3-2-4-6-11(10)9-12/h7-8,11H,2-6,9H2,1H3
InChIKey NSJBLJMXCJZVHI-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8idzMUX3lEN
Name 5,6,7,8,9,9a-hexahydro-1H-benzocycloheptene-2-carboxylic acid methyl ester
Alternate Name(s) 5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene-2-carboxylic acid methyl ester Methyl 5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene-2-carboxylate Methyl 5,6,7,8,9,9a-hexahydro-1H-benzo[a]cycloheptene-2-carboxylate
CAS Registry Number 126090-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-15-13(14)12-8-7-10-5-3-2-4-6-11(10)9-12/h7-8,11H,2-6,9H2,1H3
InChIKey NSJBLJMXCJZVHI-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1(=CC=C2C(C1)CCCCC2)C(=O)OC
SPLASH splash10-052f-8920000000-282a6aafb1dd0dd2b550
Source of Spectrum H-72-900-27
Wiley ID 1204730