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(4aR,9aS)-1,2,3,4,4a,5,8,9a-octahydrobenzocyclohepten-9-one
SpectraBase Compound ID 5esHQanluPl
InChI InChI=1S/C11H16O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h2,4,9-10H,1,3,5-8H2/t9-,10+/m1/s1
InChIKey REJOICHTFDFINF-ZJUUUORDSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cz11RryST4b
Name (4aR,9aS)-1,2,3,4,4a,5,8,9a-octahydrobenzocyclohepten-9-one
Alternate Name(s) (4aR,9aS)-1,2,3,4,4a,5,8,9a-octahydrobenzo[7]annulen-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h2,4,9-10H,1,3,5-8H2/t9-,10+/m1/s1
InChIKey REJOICHTFDFINF-ZJUUUORDSA-N
Molecular Weight 164.248 g/mol
SMILES C1([C@@]2([C@@](CC=CC1)(CCCC2)[H])[H])=O
SPLASH splash10-0gc0-9200000000-e14ca8a78404788eace8
Source of Spectrum SO-0-557-19
Wiley ID 1542283