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(2S,6S,7R)-Methyl 7-(benzyl(tert-butoxycarbonyl)amino)-1-oxospiro[5.5]undec-8-ene-2-carboxylate
SpectraBase Compound ID DRkwvAfEZZO
InChI InChI=1S/C25H33NO5/c1-24(2,3)31-23(29)26(17-18-11-6-5-7-12-18)20-14-8-9-15-25(20)16-10-13-19(21(25)27)22(28)30-4/h5-8,11-12,14,19-20H,9-10,13,15-17H2,1-4H3/t19-,20+,25+/m0/s1
InChIKey GVFWUACAGPGIEV-WZOHSFFVSA-N
Mol Weight 427.5 g/mol
Molecular Formula C25H33NO5
Exact Mass 427.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J67eEc47vne
Name (2S,6S,7R)-Methyl 7-(benzyl(tert-butoxycarbonyl)amino)-1-oxospiro[5.5]undec-8-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO5
InChI InChI=1S/C25H33NO5/c1-24(2,3)31-23(29)26(17-18-11-6-5-7-12-18)20-14-8-9-15-25(20)16-10-13-19(21(25)27)22(28)30-4/h5-8,11-12,14,19-20H,9-10,13,15-17H2,1-4H3/t19-,20+,25+/m0/s1
InChIKey GVFWUACAGPGIEV-WZOHSFFVSA-N
Molecular Weight 427.541 g/mol
SMILES [C@]12(C([C@@](C(=O)OC)(CCC2)[H])=O)[C@](N(C(OC(C)(C)C)=O)Cc2ccccc2)(C=CCC1)[H]
SPLASH splash10-004i-0019100000-98876c18fb3782d4fea9
Source of Spectrum F-67-7998-32
Wiley ID 1687601