For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(1S,2S,3S,5R)-5-acetoxy-3-hydroxy-2-methyl-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID HHrL7bvpTAO
InChI InChI=1S/C12H20O5/c1-7-9(5-12(15)16-3)4-10(6-11(7)14)17-8(2)13/h7,9-11,14H,4-6H2,1-3H3/t7-,9-,10+,11-/m0/s1
InChIKey QVIPCKLFBRIJIT-BBHBSTQDSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 34TxVMZRj6
Name 2-[(1S,2S,3S,5R)-5-acetoxy-3-hydroxy-2-methyl-cyclohexyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-7-9(5-12(15)16-3)4-10(6-11(7)14)17-8(2)13/h7,9-11,14H,4-6H2,1-3H3/t7-,9-,10+,11-/m0/s1
InChIKey QVIPCKLFBRIJIT-BBHBSTQDSA-N
Molecular Weight 244.287 g/mol
SMILES O[C@@]1([C@]([C@](CC(=O)OC)(C[C@](C1)(OC(=O)C)[H])[H])(C)[H])[H]
SPLASH splash10-03r3-9800000000-0063dfc1dc8d60725ea7
Source of Spectrum F-69-5279-4
Synonyms 2-[(1S,2S,3S,5R)-5-acetyloxy-3-hydroxy-2-methylcyclohexyl]acetic acid methyl ester Methyl 2-[(1S,2S,3S,5R)-5-acetoxy-3-hydroxy-2-methyl-cyclohexyl]acetate Methyl 2-[(1S,2S,3S,5R)-5-acetyloxy-2-methyl-3-oxidanyl-cyclohexyl]ethanoate Methyl 2-[(1S,2S,3S,5R)-5-acetyloxy-3-hydroxy-2-methylcyclohexyl]acetate
Wiley ID 1595364