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4-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxycarbonylamino)-butanoicacidethylester
SpectraBase Compound ID qkau4wJhoH
InChI InChI=1S/C17H31NO4/c1-5-21-16(19)7-6-10-18-17(20)22-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,18,20)/t13-,14+,15+/m1/s1
InChIKey BJJHPXOJQYPNFX-ILXRZTDVSA-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 Dp5M4bOObVN
Name 4-((1S,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxycarbonylamino)-butanoicacidethylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO4
InChI InChI=1S/C17H31NO4/c1-5-21-16(19)7-6-10-18-17(20)22-15-11-13(4)8-9-14(15)12(2)3/h12-15H,5-11H2,1-4H3,(H,18,20)/t13-,14+,15+/m1/s1
InChIKey BJJHPXOJQYPNFX-ILXRZTDVSA-N
Ionization Type EI
Molecular Weight 313.438 g/mol
SMILES N(CCCC(=O)OCC)C(=O)O[C@@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]
SPLASH splash10-001i-9300000000-aa3899cce214f481895d
Source of Spectrum EP2135516B1
Wiley ID 1844969