N,N'-Bis[(S)-1-methoxycarbonyl-1-isopropylmethyl]fumaric diamide

SpectraBase Compound ID	H4uiMkC5VIM
InChI	InChI=1S/C16H26N2O6/c1-9(2)13(15(21)23-5)17-11(19)7-8-12(20)18-14(10(3)4)16(22)24-6/h7-10,13-14H,1-6H3,(H,17,19)(H,18,20)/b8-7+/t13-,14?/m0/s1
InChIKey	HTFDOYQPKACATJ-PCOPHNRXSA-N Google Search
Mol Weight	342.39 g/mol
Molecular Formula	C16H26N2O6
Exact Mass	342.179087 g/mol

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SpectraBase Spectrum ID	EwJo84cnVoC
Name	N,N'-bis[(S)-1-Methoxycarbonyl-1-isopropylmethyl]fumaric diamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	342.179086559 u
Formula	C16H26N2O6
InChI	InChI=1S/C16H26N2O6/c1-9(2)13(15(21)23-5)17-11(19)7-8-12(20)18-14(10(3)4)16(22)24-6/h7-10,13-14H,1-6H3,(H,17,19)(H,18,20)/b8-7+/t13-,14?/m0/s1
InChIKey	HTFDOYQPKACATJ-PCOPHNRXSA-N
Molecular Weight	342.392 g/mol
SMILES	[C@@](C(=O)OC)(NC(\C=C\C(NC(C(=O)OC)C(C)C)=O)=O)(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.8225