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cis-1-Phenyl-1,2-difluorobenzocycloheptane
SpectraBase Compound ID HqBXJyAUm6g
InChI InChI=1S/C17H16F2/c18-16-12-6-8-13-7-4-5-11-15(13)17(16,19)14-9-2-1-3-10-14/h1-5,7,9-11,16H,6,8,12H2/t16-,17+/m1/s1
InChIKey ULPKMRCHEQEVAV-SJORKVTESA-N
Mol Weight 258.31 g/mol
Molecular Formula C17H16F2
Exact Mass 258.122007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiDpeQYihhQ
Name cis-1-Phenyl-1,2-difluorobenzocycloheptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F2
InChI InChI=1S/C17H16F2/c18-16-12-6-8-13-7-4-5-11-15(13)17(16,19)14-9-2-1-3-10-14/h1-5,7,9-11,16H,6,8,12H2/t16-,17+/m1/s1
InChIKey ULPKMRCHEQEVAV-SJORKVTESA-N
Molecular Weight 258.312 g/mol
SMILES [C@@]1(c2c(CCC[C@]1(F)[H])cccc2)(c1ccccc1)F
SPLASH splash10-014i-0900000000-9696ec28a2cff5b3811f
Source of Spectrum J-59-5894-14
Synonyms (5S,6R)-5,6-difluoro-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulene (5S,6R)-5,6-bis(fluoranyl)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulene
Wiley ID 1262145