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3-O-acetyl-niduloic acid

View entire compound with spectra: 1 MS (GC)

3-O-acetyl-niduloic acid
SpectraBase Compound ID 4wBww8Db3H3
InChI InChI=1S/C13H16O5/c1-9(14)18-12(8-13(16)17)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,12,15H,4,7-8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey XCHKWGBIYWPJOT-LBPRGKRZSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Y5lmvKKwQh
Name 3-O-acetyl-niduloic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-9(14)18-12(8-13(16)17)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,12,15H,4,7-8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey XCHKWGBIYWPJOT-LBPRGKRZSA-N
Molecular Weight 252.266 g/mol
SMILES OC(C[C@](CCc1ccc(cc1)O)(OC(=O)C)[H])=O
SPLASH splash10-053u-1900000000-11047fbbe00fb8328a66
Source of Spectrum X2-68-1184-7
Synonyms 5-(p-Hydroxyphenyl)-3-(acetoxy)pentanoic Acid (3S)-3-acetoxy-5-(4-hydroxyphenyl)pentanoic acid (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoic acid
Wiley ID 1609674