Benzenepropanamide, .alpha.-[2-[(acetyloxy)methyl]-4,5-dimethoxyphenyl]-3,4-dimethoxy-N-m ethyl-

SpectraBase Compound ID	I2BWDj3V2wR
InChI	InChI=1S/C23H29NO7/c1-14(25)31-13-16-11-21(29-5)22(30-6)12-17(16)18(23(26)24-2)9-15-7-8-19(27-3)20(10-15)28-4/h7-8,10-12,18H,9,13H2,1-6H3,(H,24,26)
InChIKey	ACPNVMWKFRRPEM-UHFFFAOYSA-N Google Search
Mol Weight	431.49 g/mol
Molecular Formula	C23H29NO7
Exact Mass	431.194402 g/mol

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SpectraBase Spectrum ID	GqWvIVPBx1P
Name	Benzenepropanamide, .alpha.-[2-[(acetyloxy)methyl]-4,5-dimethoxyphenyl]-3,4-dimethoxy-N-m ethyl-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	431.194402271 u
Formula	C23H29NO7
InChI	InChI=1S/C23H29NO7/c1-14(25)31-13-16-11-21(29-5)22(30-6)12-17(16)18(23(26)24-2)9-15-7-8-19(27-3)20(10-15)28-4/h7-8,10-12,18H,9,13H2,1-6H3,(H,24,26)
InChIKey	ACPNVMWKFRRPEM-UHFFFAOYSA-N
Molecular Weight	431.485 g/mol
SMILES	C=1(C(C(=O)NC)CC=2C=C(OC)C(=CC2)OC)C(=CC(=C(C1)OC)OC)COC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.935205