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1,4-Butanediol bis(3-aminocrotonate)

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1,4-Butanediol bis(3-aminocrotonate)
SpectraBase Compound ID FHLgoFcsx2a
InChI InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7-,10-8-
InChIKey DFUXQARZEWMFLQ-XOHWUJONSA-N
Mol Weight 256.3 g/mol
Molecular Formula C12H20N2O4
Exact Mass 256.142307 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID LGHqJtmp0kd
Name 1,4-Butanediol bis(3-aminocrotonate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.142307128 u
Formula C12H20N2O4
InChI InChI=1S/C12H20N2O4/c1-9(13)7-11(15)17-5-3-4-6-18-12(16)8-10(2)14/h7-8H,3-6,13-14H2,1-2H3/b9-7-,10-8-
InChIKey DFUXQARZEWMFLQ-XOHWUJONSA-N
Molecular Weight 256.302 g/mol
SMILES C(\C=C\(N)C)(=O)OCCCCOC(\C=C\(N)C)=O
Spectrum/Structure Validation Score (Raman) 0.990256