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5,6,8,9-tetrahydrospiro[7h-benzocycloheptene-7,4'-cyclohexa-2',5'-dien]-1'-one
SpectraBase Compound ID La9HzLqH8aH
InChI InChI=1S/C16H16O/c17-15-7-11-16(12-8-15)9-5-13-3-1-2-4-14(13)6-10-16/h1-4,7-8,11-12H,5-6,9-10H2
InChIKey BATJLOUCMHBGST-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gah3ROWK4rQ
Name 5,6,8,9-tetrahydrospiro[7h-benzocycloheptene-7,4'-cyclohexa-2',5'-dien]-1'-one
Alternate Name(s) 5,6,8,9-tetrahydrospiro[-benzo[7]annulene-7,1'-cyclohexane]-2',5'-dien-4'-one
CAS Registry Number 101955-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c17-15-7-11-16(12-8-15)9-5-13-3-1-2-4-14(13)6-10-16/h1-4,7-8,11-12H,5-6,9-10H2
InChIKey BATJLOUCMHBGST-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C12(C=CC(C=C2)=O)CCc2ccccc2CC1
SPLASH splash10-00xr-0390000000-69066e1ec4e161c2a657
Source of Spectrum J-51-2166-4
Wiley ID 1225982