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Cyclohexaneacetic acid, 2-hydroxy-, methyl ester, trans-
SpectraBase Compound ID 2GEdJEFDrys
InChI InChI=1S/C9H16O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKey TXZRYAJZEVSREG-JGVFFNPUSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UJuyKv6UbE
Name Cyclohexaneacetic acid, 2-hydroxy-, methyl ester, trans-
Alternate Name(s) Methyl[(1S,2R)-2-hydroxycyclohexyl]acetate
CAS Registry Number 78844-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h7-8,10H,2-6H2,1H3/t7-,8+/m0/s1
InChIKey TXZRYAJZEVSREG-JGVFFNPUSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1([C@](CC(=O)OC)(CCCC1)[H])[H]
SPLASH splash10-05mp-9000000000-bce157bef4790a3b4f6c
Source of Spectrum J-53-2293-5
Wiley ID 1168765