Carbonic acid, 4-[[[4-[(propoxycarbonyl)oxy]phenyl]imino]methyl]phenyl propyl ester

SpectraBase Compound ID	KZ9Zv3iGN4q
InChI	InChI=1S/C21H23NO6/c1-3-13-25-20(23)27-18-9-5-16(6-10-18)15-22-17-7-11-19(12-8-17)28-21(24)26-14-4-2/h5-12,15H,3-4,13-14H2,1-2H3/b22-15+
InChIKey	PGIPFCLIZDHGCO-PXLXIMEGSA-N Google Search
Mol Weight	385.42 g/mol
Molecular Formula	C21H23NO6
Exact Mass	385.152537 g/mol

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SpectraBase Spectrum ID	6xXcZpmtgzk
Name	Carbonic acid, 4-[[[4-[(propoxycarbonyl)oxy]phenyl]imino]methyl]phenyl propyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	385.152537459 u
Formula	C21H23NO6
InChI	InChI=1S/C21H23NO6/c1-3-13-25-20(23)27-18-9-5-16(6-10-18)15-22-17-7-11-19(12-8-17)28-21(24)26-14-4-2/h5-12,15H,3-4,13-14H2,1-2H3/b22-15+
InChIKey	PGIPFCLIZDHGCO-PXLXIMEGSA-N
Molecular Weight	385.416 g/mol
SMILES	CCCOC(=O)OC1=CC=C(C=C1)\C=N\C1=CC=C(C=C1)OC(=O)OCCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.963432