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4-Pentyne-1,2-diol, 1,5-bis(3,4-dimethoxyphenyl)-, [R-(R*,S*)]-
SpectraBase Compound ID EdpXpQguVYb
InChI InChI=1S/C21H24O6/c1-24-17-10-8-14(12-19(17)26-3)6-5-7-16(22)21(23)15-9-11-18(25-2)20(13-15)27-4/h8-13,16,21-23H,7H2,1-4H3/t16-,21+/m0/s1
InChIKey UJAZSPPNSNJTLA-HRAATJIYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8cYncloltA
Name 4-Pentyne-1,2-diol, 1,5-bis(3,4-dimethoxyphenyl)-, [R-(R*,S*)]-
Alternate Name(s) (1R,2S)-1,5-bis(3,4-dimethoxyphenyl)-4-pentyne-1,2-diol Tetramethylnyasicol
CAS Registry Number 111518-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-24-17-10-8-14(12-19(17)26-3)6-5-7-16(22)21(23)15-9-11-18(25-2)20(13-15)27-4/h8-13,16,21-23H,7H2,1-4H3/t16-,21+/m0/s1
InChIKey UJAZSPPNSNJTLA-HRAATJIYSA-N
Molecular Weight 372.417 g/mol
SMILES O[C@]([C@@](c1cc(OC)c(cc1)OC)(O)[H])(CC#Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-014i-0912000000-efdf83f084c5de68b6bf
Source of Spectrum F-43-3522-7
Wiley ID 1355472