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2-[(1S,2R)-2-hydroxy-2-methyl-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID HLMrxIFAM3N
InChI InChI=1S/C10H18O3/c1-10(12)6-4-3-5-8(10)7-9(11)13-2/h8,12H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKey FLQGFQSFZVUQQJ-WCBMZHEXSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30JjyrZxSVB
Name 2-[(1S,2R)-2-hydroxy-2-methyl-cyclohexyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-10(12)6-4-3-5-8(10)7-9(11)13-2/h8,12H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKey FLQGFQSFZVUQQJ-WCBMZHEXSA-N
Molecular Weight 186.251 g/mol
SMILES O[C@]1([C@](CC(=O)OC)(CCCC1)[H])C
SPLASH splash10-052f-9100000000-6d8d82c1b6f62b110b43
Source of Spectrum J-59-1441-3
Synonyms Methyl 2-[(1S,2R)-2-hydroxy-2-methyl-cyclohexyl]acetate Methyl 2-[(1S,2R)-2-methyl-2-oxidanyl-cyclohexyl]ethanoate 2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]acetic acid methyl ester
Wiley ID 1182907