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3,5-Octadien-2-one, 7-hydroxy-5,8-bis(phenylmethoxy)-, [S-(Z,E)]-
SpectraBase Compound ID BrBJD895zza
InChI InChI=1S/C22H24O4/c1-18(23)12-13-22(26-16-20-10-6-3-7-11-20)14-21(24)17-25-15-19-8-4-2-5-9-19/h2-14,21,24H,15-17H2,1H3/b13-12+,22-14-/t21-/m0/s1
InChIKey JWTKQHHUPWMWHP-BRAUPHFRSA-N
Mol Weight 352.43 g/mol
Molecular Formula C22H24O4
Exact Mass 352.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbyWZNevuXT
Name 3,5-Octadien-2-one, 7-hydroxy-5,8-bis(phenylmethoxy)-, [S-(Z,E)]-
CAS Registry Number 120090-21-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24O4
InChI InChI=1S/C22H24O4/c1-18(23)12-13-22(26-16-20-10-6-3-7-11-20)14-21(24)17-25-15-19-8-4-2-5-9-19/h2-14,21,24H,15-17H2,1H3/b13-12+,22-14-/t21-/m0/s1
InChIKey JWTKQHHUPWMWHP-BRAUPHFRSA-N
Molecular Weight 352.430 g/mol
SMILES O[C@@](\C=C\(\C=C\C(=O)C)OCc1ccccc1)(COCc1ccccc1)[H]
SPLASH splash10-001i-0091000000-c53641a7383202360bf5
Source of Spectrum KC-1988-2862-6
Synonyms (3E,5Z,7S)-5,8-bis(benzyloxy)-7-hydroxy-3,5-octadien-2-one (3E,5Z,7S)-5,8-dibenzyloxy-7-hydroxyocta-3,5-dien-2-one
Wiley ID 1343573