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9-PHENYL-5H-BENZOCYCLOHEPTENE
SpectraBase Compound ID IEofydkpLS4
InChI InChI=1S/C17H14/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-9,11-13H,10H2
InChIKey ZJRJGMXJEGZQRH-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C17H14
Exact Mass 218.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AIymyeqXWJn
Name 9-Phenyl-5H-benzo[a]cycloheptene
Alternate Name(s) 9-Phenyl-5H-benzocycloheptene 5-Phenyl-9H-benzocycloheptene 5-Phenyl-9H-benzo[7]annulene
CAS Registry Number 138089-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14
InChI InChI=1S/C17H14/c1-2-8-14(9-3-1)16-12-6-4-10-15-11-5-7-13-17(15)16/h1-9,11-13H,10H2
InChIKey ZJRJGMXJEGZQRH-UHFFFAOYSA-N
Molecular Weight 218.299 g/mol
SMILES c12ccccc2C(=CC=CC1)c1ccccc1
SPLASH splash10-0gb9-0190000000-94ebedebd813b1c12bde
Source of Spectrum K-125-497-37
Wiley ID 1218527