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2-[(1S,3S,5R)-5-acetoxy-3-hydroxy-2-methylene-cyclohexyl]acetic acid methyl ester
SpectraBase Compound ID Hzd7BIQGcF
InChI InChI=1S/C12H18O5/c1-7-9(5-12(15)16-3)4-10(6-11(7)14)17-8(2)13/h9-11,14H,1,4-6H2,2-3H3/t9-,10+,11-/m0/s1
InChIKey LQJIALQWSBQAHE-AXFHLTTASA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83OGTYJVNZ
Name 2-[(1S,3S,5R)-5-acetoxy-3-hydroxy-2-methylene-cyclohexyl]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-7-9(5-12(15)16-3)4-10(6-11(7)14)17-8(2)13/h9-11,14H,1,4-6H2,2-3H3/t9-,10+,11-/m0/s1
InChIKey LQJIALQWSBQAHE-AXFHLTTASA-N
Molecular Weight 242.271 g/mol
SMILES O[C@@]1(C([C@](CC(=O)OC)(C[C@](C1)(OC(=O)C)[H])[H])=C)[H]
SPLASH splash10-0a4i-3900000000-a122e6f0ca9bde58e156
Source of Spectrum F-69-5279-4
Synonyms 2-[(1S,3S,5R)-5-acetyloxy-3-hydroxy-2-methylenecyclohexyl]acetic acid methyl ester Methyl 2-[(1S,3S,5R)-5-acetoxy-3-hydroxy-2-methylene-cyclohexyl]acetate Methyl 2-[(1S,3S,5R)-5-acetyloxy-2-methylidene-3-oxidanyl-cyclohexyl]ethanoate Methyl 2-[(1S,3S,5R)-5-acetyloxy-3-hydroxy-2-methylidenecyclohexyl]acetate
Wiley ID 1595365