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5,6,8,9-tetrahydrospiro[7h-benzocycloheptene-7,4'-cyclohex-2'-en]-1'-one
SpectraBase Compound ID HqXHAXHjvUl
InChI InChI=1S/C16H18O/c17-15-7-11-16(12-8-15)9-5-13-3-1-2-4-14(13)6-10-16/h1-4,7,11H,5-6,8-10,12H2
InChIKey XPTVGPRHUXBHSB-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FQe0GRCWZt
Name 5,6,8,9-tetrahydrospiro[7h-benzocycloheptene-7,4'-cyclohex-2'-en]-1'-one
Alternate Name(s) 5,6,8,9-tetrahydrospiro[-benzo[7]annulene-7,1'-cyclohexan]-2'-en-4'-one
CAS Registry Number 101955-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c17-15-7-11-16(12-8-15)9-5-13-3-1-2-4-14(13)6-10-16/h1-4,7,11H,5-6,8-10,12H2
InChIKey XPTVGPRHUXBHSB-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES C=1C2(CCc3ccccc3CC2)CCC(C1)=O
SPLASH splash10-016r-0950000000-f3812d62a4c2bbd80fc3
Source of Spectrum J-51-2166-5
Wiley ID 1228219