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(2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid

View entire compound with spectra: 1 MS (GC)

(2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid
SpectraBase Compound ID 9FFrB22s9jE
InChI InChI=1S/C27H42N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-28-29-26(34-25)22-16-18-23(19-17-22)33-21-20-24(30)27(31)32/h16-19,24,30H,2-15,20-21H2,1H3,(H,31,32)/t24-/m0/s1
InChIKey GIEUVKPRLMPDOB-DEOSSOPVSA-N
Mol Weight 490.7 g/mol
Molecular Formula C27H42N2O4S
Exact Mass 490.286529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iLGJRl8zTD
Name (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42N2O4S
InChI InChI=1S/C27H42N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-28-29-26(34-25)22-16-18-23(19-17-22)33-21-20-24(30)27(31)32/h16-19,24,30H,2-15,20-21H2,1H3,(H,31,32)/t24-/m0/s1
InChIKey GIEUVKPRLMPDOB-DEOSSOPVSA-N
Molecular Weight 490.703 g/mol
SMILES OC([C@](CCOc1ccc(-c2nnc(CCCCCCCCCCCCCCC)s2)cc1)(O)[H])=O
SPLASH splash10-0006-0393200000-1802aa58faff5d345fac
Source of Spectrum KC-20-2017-2
Synonyms (2S)-2-hydroxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butyric acid (2S)-2-oxidanyl-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid
Wiley ID 821604