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1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-1,6-diphenyl-, diacetate, (R*,R*)-(.+-.)-
SpectraBase Compound ID LOtqeruGpP1
InChI InChI=1S/C24H22O4/c1-19(25)27-23(3,17-15-21-11-7-5-8-12-21)24(4,28-20(2)26)18-16-22-13-9-6-10-14-22/h5-14H,1-4H3/t23-,24-/m1/s1
InChIKey BNWIFJAZYUCWDV-DNQXCXABSA-N
Mol Weight 374.44 g/mol
Molecular Formula C24H22O4
Exact Mass 374.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID De2RgqhRSRM
Name 1,5-Hexadiyne-3,4-diol, 3,4-dimethyl-1,6-diphenyl-, diacetate, (R*,R*)-(.+-.)-
Alternate Name(s) (1R,2R)-2-(acetyloxy)-1,2-dimethyl-4-phenyl-1-(phenylethynyl)-3-butynyl acetate Mixture of D-,L- and meso-3,4-diacetoxy-3,4-dimethyl-1,6-diphenyl-1,5-hexadiyne
CAS Registry Number 66415-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O4
InChI InChI=1S/C24H22O4/c1-19(25)27-23(3,17-15-21-11-7-5-8-12-21)24(4,28-20(2)26)18-16-22-13-9-6-10-14-22/h5-14H,1-4H3/t23-,24-/m1/s1
InChIKey BNWIFJAZYUCWDV-DNQXCXABSA-N
Molecular Weight 374.436 g/mol
SMILES C([C@]([C@@](C#Cc1ccccc1)(OC(=O)C)C)(OC(=O)C)C)#Cc1ccccc1
SPLASH splash10-0005-4900000000-cc8d06fdee318b8ea821
Source of Spectrum H-61-275-0
Wiley ID 1356888