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(2S*,7S*)-(Z)-2-Phenethyl-7-phenyl-2,3,6,7-tetrahydrooxepine
SpectraBase Compound ID AnJ3VfZ5aZ
InChI InChI=1S/C20H22O/c1-3-9-17(10-4-1)15-16-19-13-7-8-14-20(21-19)18-11-5-2-6-12-18/h1-12,19-20H,13-16H2/t19-,20+/m1/s1
InChIKey JHLJFDZUFKQVRW-UXHICEINSA-N
Mol Weight 278.39 g/mol
Molecular Formula C20H22O
Exact Mass 278.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzWBgmc92Ig
Name (2S*,7S*)-(Z)-2-Phenethyl-7-phenyl-2,3,6,7-tetrahydrooxepine
Alternate Name(s) (2S,7S)-2-phenethyl-7-phenyl-2,3,6,7-tetrahydrooxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O
InChI InChI=1S/C20H22O/c1-3-9-17(10-4-1)15-16-19-13-7-8-14-20(21-19)18-11-5-2-6-12-18/h1-12,19-20H,13-16H2/t19-,20+/m1/s1
InChIKey JHLJFDZUFKQVRW-UXHICEINSA-N
Literature Reference DOI 10.1021/ol7026569
Molecular Weight 278.395 g/mol
SMILES C1C=CC[C@](O[C@]1(CCc1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-00bc-3910000000-3a785c0788dab5aafae0
Source of Spectrum A1-10-265/SMS7-3c
Wiley ID 1758981