1,3-Divaleryl-5-[3,4-dimethoxybenzal]hydantoin

SpectraBase Compound ID	6akcSL7c0fV
InChI	InChI=1S/C22H28N2O6/c1-5-7-9-19(25)23-16(13-15-11-12-17(29-3)18(14-15)30-4)21(27)24(22(23)28)20(26)10-8-6-2/h11-14H,5-10H2,1-4H3/b16-13-
InChIKey	XPBPYIOGPBDEEO-SSZFMOIBSA-N Google Search
Mol Weight	416.47 g/mol
Molecular Formula	C22H28N2O6
Exact Mass	416.194737 g/mol

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SpectraBase Spectrum ID	5hLT9X22TsM
Name	1,3-Divaleryl-5-[3,4-dimethoxybenzal]hydantoin
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	416.194736624 u
Formula	C22H28N2O6
InChI	InChI=1S/C22H28N2O6/c1-5-7-9-19(25)23-16(13-15-11-12-17(29-3)18(14-15)30-4)21(27)24(22(23)28)20(26)10-8-6-2/h11-14H,5-10H2,1-4H3/b16-13-
InChIKey	XPBPYIOGPBDEEO-SSZFMOIBSA-N
Molecular Weight	416.474 g/mol
SMILES	C1=C(C=C(C(=C1)OC)OC)\C=C\1N(C(=O)N(C1=O)C(=O)CCCC)C(CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.917567