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(2R*,7R*)-(Z)-2-Benzyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
SpectraBase Compound ID ICiROw0zJMz
InChI InChI=1S/C21H24O/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(22-20)17-19-11-5-2-6-12-19/h1-12,20-21H,13-17H2/t20-,21+/m0/s1
InChIKey YQYOGZIOTSCGQC-LEWJYISDSA-N
Mol Weight 292.42 g/mol
Molecular Formula C21H24O
Exact Mass 292.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3AjxTIjzW0c
Name (2R*,7R*)-(Z)-2-Benzyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
Alternate Name(s) (2R,7R)-2-benzyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O
InChI InChI=1S/C21H24O/c1-3-9-18(10-4-1)15-16-20-13-7-8-14-21(22-20)17-19-11-5-2-6-12-19/h1-12,20-21H,13-17H2/t20-,21+/m0/s1
InChIKey YQYOGZIOTSCGQC-LEWJYISDSA-N
Literature Reference DOI 10.1021/ol7026569
Molecular Weight 292.422 g/mol
SMILES C1C=CC[C@](O[C@]1(Cc1ccccc1)[H])(CCc1ccccc1)[H]
SPLASH splash10-0f6x-9660000000-3b40c1b166a316804006
Source of Spectrum A1-10-265/SMS8-3f
Wiley ID 1758983