6-[3-(3,4-Dimethoxyphenyl)propyl]veratryl alcohol, carbanilate

SpectraBase Compound ID	KLuHPWQRF8v
InChI	InChI=1S/C27H31NO6/c1-30-23-14-13-19(15-24(23)31-2)9-8-10-20-16-25(32-3)26(33-4)17-21(20)18-34-27(29)28-22-11-6-5-7-12-22/h5-7,11-17H,8-10,18H2,1-4H3,(H,28,29)
InChIKey	MOFZXZCZYOZEIC-UHFFFAOYSA-N Google Search
Mol Weight	465.55 g/mol
Molecular Formula	C27H31NO6
Exact Mass	465.215138 g/mol

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SpectraBase Spectrum ID	XXblUIJxBK
Name	6-[3-(3,4-Dimethoxyphenyl)propyl]veratryl alcohol, carbanilate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	465.215137716 u
Formula	C27H31NO6
InChI	InChI=1S/C27H31NO6/c1-30-23-14-13-19(15-24(23)31-2)9-8-10-20-16-25(32-3)26(33-4)17-21(20)18-34-27(29)28-22-11-6-5-7-12-22/h5-7,11-17H,8-10,18H2,1-4H3,(H,28,29)
InChIKey	MOFZXZCZYOZEIC-UHFFFAOYSA-N
Molecular Weight	465.546 g/mol
SMILES	N(C=1C=CC=CC1)C(=O)OCC=1C=C(C(=CC1CCCC1=CC(=C(C=C1)OC)OC)OC)OC
Spectrum/Structure Validation Score (Raman)	0.968183