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Benzyl (2S,5R)-2-[(tert-butoxycarbonyl)amino]-5,6-isopropylidenedioxy-4-oxohexanoate
SpectraBase Compound ID BLFRHoToeDe
InChI InChI=1S/C21H29NO7/c1-20(2,3)29-19(25)22-15(11-16(23)17-13-27-21(4,5)28-17)18(24)26-12-14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3,(H,22,25)/t15-,17+/m0/s1
InChIKey GZUSGEGSSQWOSY-DOTOQJQBSA-N
Mol Weight 407.46 g/mol
Molecular Formula C21H29NO7
Exact Mass 407.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYavUrprZ2U
Name Benzyl (2S,5R)-2-[(tert-butoxycarbonyl)amino]-5,6-isopropylidenedioxy-4-oxohexanoate
Alternate Name(s) benzyl 2-[(tert-butoxycarbonyl)amino]-2,3-dideoxy-5,6-O-(1-methylethylidene)-D-threo-hex-4-ulosonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO7
InChI InChI=1S/C21H29NO7/c1-20(2,3)29-19(25)22-15(11-16(23)17-13-27-21(4,5)28-17)18(24)26-12-14-9-7-6-8-10-14/h6-10,15,17H,11-13H2,1-5H3,(H,22,25)/t15-,17+/m0/s1
InChIKey GZUSGEGSSQWOSY-DOTOQJQBSA-N
Molecular Weight 407.463 g/mol
SMILES N([C@@](CC([C@@]1(OC(C)(C)OC1)[H])=O)(C(OCc1ccccc1)=O)[H])C(OC(C)(C)C)=O
SPLASH splash10-0k96-6009100000-44dcc3fdc7a14dbe24bf
Source of Spectrum KC-0-1725-3
Wiley ID 781445