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5,7,8,9-tetrahydrospiro[6h-benzocycloheptene-6,4'-cyclohexa-2',5'-dien]-1'-one
SpectraBase Compound ID DsFybvEaAP0
InChI InChI=1S/C16H16O/c17-15-7-10-16(11-8-15)9-3-6-13-4-1-2-5-14(13)12-16/h1-2,4-5,7-8,10-11H,3,6,9,12H2
InChIKey VWTVBCVJRNSSHO-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 9j1ehL6c5Nu
Name 5,7,8,9-tetrahydrospiro[6h-benzocycloheptene-6,4'-cyclohexa-2',5'-dien]-1'-one
Alternate Name(s) 5,7,8,9-tetrahydrospiro[-benzo[7]annulene-6,1'-cyclohexane]-2',5'-dien-4'-one
CAS Registry Number 101955-01-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c17-15-7-10-16(11-8-15)9-3-6-13-4-1-2-5-14(13)12-16/h1-2,4-5,7-8,10-11H,3,6,9,12H2
InChIKey VWTVBCVJRNSSHO-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C12(C=CC(C=C2)=O)Cc2c(cccc2)CCC1
SPLASH splash10-0a4i-0910000000-ee05069f0aca5c7a8512
Source of Spectrum J-51-2166-4
Wiley ID 1225983