(E)-10-[(4'-Hydroxycinnamoyl)oxy]-tetrahydrocantleyne

SpectraBase Compound ID	22FPypcsBed
InChI	InChI=1S/C20H23NO6/c1-26-20(25)16-10-21-9-15-14(16)8-18(23)17(15)11-27-19(24)7-4-12-2-5-13(22)6-3-12/h2-7,10,14-15,17-18,21-23H,8-9,11H2,1H3/b7-4+/t14-,15-,17+,18-/m0/s1
InChIKey	DOVVQRHWAWHBIN-FTSSRDPGSA-N Google Search
Mol Weight	373.41 g/mol
Molecular Formula	C20H23NO6
Exact Mass	373.152537 g/mol

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SpectraBase Spectrum ID	gXbBv4ZrIu
Name	(E)-10-[(4'-Hydroxycinnamoyl)oxy]-tetrahydrocantleyne
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	373.152537459 u
Formula	C20H23NO6
InChI	InChI=1S/C20H23NO6/c1-26-20(25)16-10-21-9-15-14(16)8-18(23)17(15)11-27-19(24)7-4-12-2-5-13(22)6-3-12/h2-7,10,14-15,17-18,21-23H,8-9,11H2,1H3/b7-4+/t14-,15-,17+,18-/m0/s1
InChIKey	DOVVQRHWAWHBIN-FTSSRDPGSA-N
Molecular Weight	373.405 g/mol
SMILES	C=1([C@@]2([C@]([C@@](COC(\C=C\C3=CC=C(C=C3)O)=O)([C@](C2)(O)[H])[H])([H])CNC1)[H])C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.898291