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(2S)-2-[(benzyloxycarbonyl)amino-N(1)-(1'-isopropylbut-3'-enyl)propionamide
SpectraBase Compound ID LsVNzEhLPEl
InChI InChI=1S/C18H26N2O3/c1-5-9-16(13(2)3)20-17(21)14(4)19-18(22)23-12-15-10-7-6-8-11-15/h5-8,10-11,13-14,16H,1,9,12H2,2-4H3,(H,19,22)(H,20,21)/t14-,16?/m0/s1
InChIKey ARDGRQHZEYNIKC-LBAUFKAWSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H26N2O3
Exact Mass 318.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hdk71983D9Q
Name (2S)-2-[(benzyloxycarbonyl)amino-N(1)-(1'-isopropylbut-3'-enyl)propionamide
Alternate Name(s) benzyl (1S)-2-[(1-isopropyl-3-butenyl)amino]-1-methyl-2-oxoethylcarbamate
CAS Registry Number 104173-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O3
InChI InChI=1S/C18H26N2O3/c1-5-9-16(13(2)3)20-17(21)14(4)19-18(22)23-12-15-10-7-6-8-11-15/h5-8,10-11,13-14,16H,1,9,12H2,2-4H3,(H,19,22)(H,20,21)/t14-,16?/m0/s1
InChIKey ARDGRQHZEYNIKC-LBAUFKAWSA-N
Molecular Weight 318.417 g/mol
SMILES N(C([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)C(C(C)C)CC=C
SPLASH splash10-0006-9100000000-111b422c178d32d679da
Source of Spectrum H-72-423-29
Wiley ID 1318553