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cis-2,7-bis(2-phenylethyl)-2,3,6,7-tetrahydrooxepin
SpectraBase Compound ID HpELiBxGQJf
InChI InChI=1S/C22H26O/c1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(23-21)18-16-20-11-5-2-6-12-20/h1-12,21-22H,13-18H2/t21-,22+
InChIKey LWNABWGJLJCRNU-SZPZYZBQSA-N
Mol Weight 306.45 g/mol
Molecular Formula C22H26O
Exact Mass 306.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQpHE2BUuvJ
Name cis-2,7-bis(2-phenylethyl)-2,3,6,7-tetrahydrooxepin
CAS Registry Number 123186-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O
InChI InChI=1S/C22H26O/c1-3-9-19(10-4-1)15-17-21-13-7-8-14-22(23-21)18-16-20-11-5-2-6-12-20/h1-12,21-22H,13-18H2/t21-,22+
InChIKey LWNABWGJLJCRNU-SZPZYZBQSA-N
Literature Reference DOI 10.1021/ol7026569
Molecular Weight 306.449 g/mol
SMILES C1C=CC[C@@](O[C@@]1(CCc1ccccc1)[H])(CCc1ccccc1)[H]
SPLASH splash10-00ec-4900000000-46d1b61b243fa438565c
Source of Spectrum A1-10-265/SMS6-3a
Synonyms (2R,7S)-2,7-bis(2-phenylethyl)-2,3,6,7-tetrahydrooxepin (2S*,7R*)-(Z)-2,7-Diphenethyl-2,3,6,7-tetrahydrooxepine (2R,7S)-2,7-diphenethyl-2,3,6,7-tetrahydrooxepine
Wiley ID 1758979