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3-(3,4-Dihydroxycyclohexyl)propanoic acid
SpectraBase Compound ID 3JhjxEzgGEr
InChI InChI=1S/C9H16O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h6-8,10-11H,1-5H2,(H,12,13)
InChIKey JKBUYLPCMSCGSU-UHFFFAOYSA-N
Mol Weight 188.22 g/mol
Molecular Formula C9H16O4
Exact Mass 188.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRlBYBIwdF4
Name 3-(3,4-Dihydroxycyclohexyl)propanoic acid
Alternate Name(s) 3-(3,4-dihydroxycyclohexyl)propionic acid 3-[3,4-bis(oxidanyl)cyclohexyl]propanoic acid Cyclohexanepropanoic acid, 3,4-dihydroxy-
CAS Registry Number 57231-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O4
InChI InChI=1S/C9H16O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h6-8,10-11H,1-5H2,(H,12,13)
InChIKey JKBUYLPCMSCGSU-UHFFFAOYSA-N
Molecular Weight 188.223 g/mol
SMILES OC1CCC(CCC(O)=O)CC1O
SPLASH splash10-052f-9200000000-1f3427c10306ae6f6b9d
Source of Spectrum W5-0-0-0
Wiley ID 1184402