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7-Octene-2,6-diol, 8-phenyl-, 6-acetate
SpectraBase Compound ID 7EsRV6cETrV
InChI InChI=1S/C16H22O3/c1-13(17)7-6-10-16(19-14(2)18)12-11-15-8-4-3-5-9-15/h3-5,8-9,11-13,16-17H,6-7,10H2,1-2H3/b12-11+/t13-,16?/m0/s1
InChIKey QTWTXWPYZGCMEF-SUHDNVLLSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GqTEhR8Ecu
Name 7-Octene-2,6-diol, 8-phenyl-, 6-acetate
CAS Registry Number 102108-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-13(17)7-6-10-16(19-14(2)18)12-11-15-8-4-3-5-9-15/h3-5,8-9,11-13,16-17H,6-7,10H2,1-2H3/b12-11+/t13-,16?/m0/s1
InChIKey QTWTXWPYZGCMEF-SUHDNVLLSA-N
Molecular Weight 262.349 g/mol
SMILES O[C@](CCCC(\C=C\c1ccccc1)OC(=O)C)(C)[H]
SPLASH splash10-003r-0910000000-ef2c91c37a8ac54ff9b4
Source of Spectrum C-108-3478-12
Synonyms (2E)-1-[(4S)-4-hydroxypentyl]-3-phenyl-2-propenyl acetate (7S)-(+)-3-acetoxy-7-hydroxy-1-phenyloct-1-ene
Wiley ID 1266126