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Methyl 4-{3'.beta.-[(benzyloxycarbonyl)amino]-2',2'-dimethyl-5'-oxocyclohex-1'.alpha.-yl]but-2-enoate
SpectraBase Compound ID 2EBFkZObavu
InChI InChI=1S/C21H27NO5/c1-21(2)16(10-7-11-19(24)26-3)12-17(23)13-18(21)22-20(25)27-14-15-8-5-4-6-9-15/h4-9,11,16,18H,10,12-14H2,1-3H3,(H,22,25)/b11-7+/t16-,18-/m0/s1
InChIKey PJPNHHMLEUMMQE-QPXZKVABSA-N
Mol Weight 373.45 g/mol
Molecular Formula C21H27NO5
Exact Mass 373.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj76xFBYgsG
Name Methyl 4-{3'.beta.-[(benzyloxycarbonyl)amino]-2',2'-dimethyl-5'-oxocyclohex-1'.alpha.-yl]but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO5
InChI InChI=1S/C21H27NO5/c1-21(2)16(10-7-11-19(24)26-3)12-17(23)13-18(21)22-20(25)27-14-15-8-5-4-6-9-15/h4-9,11,16,18H,10,12-14H2,1-3H3,(H,22,25)/b11-7+/t16-,18-/m0/s1
InChIKey PJPNHHMLEUMMQE-QPXZKVABSA-N
Molecular Weight 373.449 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]1(C([C@@](C\C=C\C(=O)OC)(CC(C1)=O)[H])(C)C)[H]
SPLASH splash10-05mk-9003000000-59994ad04c3871646d1c
Source of Spectrum I-78-930-9
Synonyms Methyl (2E)-4-((1S,3S)-3-{[(benzyloxy)carbonyl]amino}-2,2-dimethyl-5-oxocyclohexyl)-2-butenoate
Wiley ID 812711