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ETHYL_2-[(1-S,5-R)-1-HYDROXY-5-ISOPROPENYL-2-METHYL-2-CYCLOHEXENYL]-ACETATE
SpectraBase Compound ID CkfBcOcl2jj
InChI InChI=1S/C14H22O3/c1-5-17-13(15)9-14(16)8-12(10(2)3)7-6-11(14)4/h6,12,16H,2,5,7-9H2,1,3-4H3/t12-,14+/m1/s1
InChIKey KIGWVYVGVLTGCR-OCCSQVGLSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJVvaSk2syi
Name 2-[(1S,5R)-1-hydroxy-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl]acetic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-17-13(15)9-14(16)8-12(10(2)3)7-6-11(14)4/h6,12,16H,2,5,7-9H2,1,3-4H3/t12-,14+/m1/s1
InChIKey KIGWVYVGVLTGCR-OCCSQVGLSA-N
Molecular Weight 238.327 g/mol
SMILES O[C@@]1(CC(=O)OCC)C(=CC[C@](C1)(C(=C)C)[H])C
SPLASH splash10-053r-7910000000-c65997e15839f699c3ba
Source of Spectrum SB-135-720-7
Synonyms 2-[(1S,5R)-1-hydroxy-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl]acetic acid ethyl ester Ethyl 2-[(1S,5R)-1-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]acetate Ethyl 2-[(1S,5R)-1-hydroxy-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl]acetate Ethyl 2-[(1S,5R)-2-methyl-1-oxidanyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl]ethanoate
Wiley ID 1576497