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ethyl 3-[[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonylamino]butanoate
SpectraBase Compound ID GQCNbBn0AIu
InChI InChI=1S/C17H31NO4/c1-6-21-16(19)10-13(5)18-17(20)22-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3,(H,18,20)/t12-,13?,14+,15+/m1/s1
InChIKey RXNRDQLOHIEHAL-URLJDCLXSA-N
Mol Weight 313.44 g/mol
Molecular Formula C17H31NO4
Exact Mass 313.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wKt6Fe652
Name ethyl 3-[[(1S,2S,5R)-2-isopropyl-5-methyl-cyclohexoxy]carbonylamino]butanoate
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Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-6-21-16(19)10-13(5)18-17(20)22-15-9-12(4)7-8-14(15)11(2)3/h11-15H,6-10H2,1-5H3,(H,18,20)/t12-,13?,14+,15+/m1/s1
InChIKey RXNRDQLOHIEHAL-URLJDCLXSA-N
Ionization Type EI
Molecular Weight 313.438 g/mol
SMILES N(C(CC(OCC)=O)C)C(=O)O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-001i-9500000000-d4e17d30b8a446253093
Source of Spectrum EP2135516B1
Wiley ID 1844991