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(2R*,7S*)-(Z)-2-Pentyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
SpectraBase Compound ID APhjRZcUiaL
InChI InChI=1S/C19H28O/c1-2-3-5-12-18-13-8-9-14-19(20-18)16-15-17-10-6-4-7-11-17/h4,6-11,18-19H,2-3,5,12-16H2,1H3/t18-,19-/m1/s1
InChIKey SXLJNGBCFRNBSB-RTBURBONSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8qTbqfu3Vj
Name (2R*,7S*)-(Z)-2-Pentyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
Alternate Name(s) (2R,7S)-2-pentyl-7-phenethyl-2,3,6,7-tetrahydrooxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-2-3-5-12-18-13-8-9-14-19(20-18)16-15-17-10-6-4-7-11-17/h4,6-11,18-19H,2-3,5,12-16H2,1H3/t18-,19-/m1/s1
InChIKey SXLJNGBCFRNBSB-RTBURBONSA-N
Literature Reference DOI 10.1021/ol7026569
Molecular Weight 272.432 g/mol
SMILES C1C=CC[C@](CCc2ccccc2)(O[C@@]1(CCCCC)[H])[H]
SPLASH splash10-008c-6900000000-3584786984848b8eca5c
Source of Spectrum A1-10-265/SMS7-3d
Wiley ID 1758982