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3-Phenylcycloheptene

View entire compound with spectra: 1 MS (GC)

3-Phenylcycloheptene
SpectraBase Compound ID 8KVJCQ09VPi
InChI InChI=1S/C13H16/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h3-4,6-8,10-12H,1-2,5,9H2
InChIKey ZFBUBYLVRDQACY-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsPmsNyC1r8
Name 3-Phenylcycloheptene
Alternate Name(s) 3-Phenylcyclohept-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-5-9-12(8-4-1)13-10-6-3-7-11-13/h3-4,6-8,10-12H,1-2,5,9H2
InChIKey ZFBUBYLVRDQACY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol400056z
Molecular Weight 172.271 g/mol
SMILES C1(c2ccccc2)CCCCC=C1
SPLASH splash10-0ftf-2900000000-25099780493a29a4fca0
Source of Spectrum A1-15-714/SMS14-Table2,entry7
Wiley ID 1748381