valine, N-[3-methyl-1-oxo-2-[[(4-pentylcyclohexyl)carbonyl]amino]butyl]-, methyl ester

SpectraBase Compound ID	1sPoDJPWK13
InChI	InChI=1S/C23H42N2O4/c1-7-8-9-10-17-11-13-18(14-12-17)21(26)24-19(15(2)3)22(27)25-20(16(4)5)23(28)29-6/h15-20H,7-14H2,1-6H3,(H,24,26)(H,25,27)/t17-,18-,19?,20?
InChIKey	ZWOQQHODBSVMBL-RTWGARKQSA-N Google Search
Mol Weight	410.6 g/mol
Molecular Formula	C23H42N2O4
Exact Mass	410.314458 g/mol

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SpectraBase Spectrum ID	CC1PvJLdJpJ
Name	valine, N-[3-methyl-1-oxo-2-[[(4-pentylcyclohexyl)carbonyl]amino]butyl]-, methyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	410.314457836 u
Formula	C23H42N2O4
InChI	InChI=1S/C23H42N2O4/c1-7-8-9-10-17-11-13-18(14-12-17)21(26)24-19(15(2)3)22(27)25-20(16(4)5)23(28)29-6/h15-20H,7-14H2,1-6H3,(H,24,26)(H,25,27)/t17-,18-,19?,20?
InChIKey	ZWOQQHODBSVMBL-RTWGARKQSA-N
Molecular Weight	410.599 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2021_4715
Solvent	DMSO-d6
Source	Vendor ID: NMR/13288410