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2,6-Dihydroxy-4-[(1S,2R)-2-hydroxy-1-methyl-propyl]-3-methyl-benzoic acid
SpectraBase Compound ID E9H4Qw4KxoU
InChI InChI=1S/C12H16O5/c1-5(7(3)13)8-4-9(14)10(12(16)17)11(15)6(8)2/h4-5,7,13-15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey UHEOCPAMGZSLMB-IYSWYEEDSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zQ0VFSLv7m
Name 2,6-Dihydroxy-4-[(1S,2R)-2-hydroxy-1-methyl-propyl]-3-methyl-benzoic acid
CAS Registry Number 110087-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-5(7(3)13)8-4-9(14)10(12(16)17)11(15)6(8)2/h4-5,7,13-15H,1-3H3,(H,16,17)/t5-,7-/m1/s1
InChIKey UHEOCPAMGZSLMB-IYSWYEEDSA-N
Molecular Weight 240.255 g/mol
SMILES Oc1cc(c(c(c1C(=O)O)O)C)[C@@]([C@](O)(C)[H])(C)[H]
SPLASH splash10-004i-0920000000-3b19dec80132d851f147
Source of Spectrum KC-1986-2108-25
Synonyms 2,6-Dihydroxy-4-[(2S,3R)-3-hydroxybutan-2-yl]-3-methylbenzoic acid 3-Methyl-2,6-bis(oxidanyl)-4-[(2S,3R)-3-oxidanylbutan-2-yl]benzoic acid
Wiley ID 1242669