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2-Acetamido-2-[(3S)-3-(2-methoxy-2-oxoethyl)-4,4-dimethyl-5-oxocyclohexyl]acetic acid ethyl ester
SpectraBase Compound ID LubNi0Sa2r5
InChI InChI=1S/C17H27NO6/c1-6-24-16(22)15(18-10(2)19)11-7-12(9-14(21)23-5)17(3,4)13(20)8-11/h11-12,15H,6-9H2,1-5H3,(H,18,19)/t11?,12-,15?/m0/s1
InChIKey XOHSSIRRSJSUAZ-AVERBVTBSA-N
Mol Weight 341.4 g/mol
Molecular Formula C17H27NO6
Exact Mass 341.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVHO6geJXuI
Name 2-Acetamido-2-[(3S)-3-(2-methoxy-2-oxoethyl)-4,4-dimethyl-5-oxocyclohexyl]acetic acid ethyl ester
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Formula C17H27NO6
InChI InChI=1S/C17H27NO6/c1-6-24-16(22)15(18-10(2)19)11-7-12(9-14(21)23-5)17(3,4)13(20)8-11/h11-12,15H,6-9H2,1-5H3,(H,18,19)/t11?,12-,15?/m0/s1
InChIKey XOHSSIRRSJSUAZ-AVERBVTBSA-N
Molecular Weight 341.404 g/mol
SMILES N(C(C1C[C@](C(C(C1)=O)(C)C)(CC(=O)OC)[H])C(=O)OCC)C(=O)C
SPLASH splash10-0002-4890000000-d0ed4a3af97cb2911f8c
Source of Spectrum H-80-1861-0
Synonyms 2-Acetamido-2-[(5S)-3-keto-5-(2-keto-2-methoxy-ethyl)-4,4-dimethyl-cyclohexyl]acetic acid ethyl ester Ethyl 2-acetamido-2-[(3S)-3-(2-methoxy-2-oxidanylidene-ethyl)-4,4-dimethyl-5-oxidanylidene-cyclohexyl]ethanoate Ethyl 2-acetamido-2-[(3S)-3-(2-methoxy-2-oxo-ethyl)-4,4-dimethyl-5-oxo-cyclohexyl]acetate
Wiley ID 1335836