9-Hydroxy-10-(3'-phenoxycinnamoyl)-2,2,6,6-tetramethyltetrahydrobenzo[1,2-b:3,4-b']dipyran

SpectraBase Compound ID	DaZ9Dsa7JPp
InChI	InChI=1S/C31H32O5/c1-30(2)17-15-23-27(33)26(29-24(28(23)35-30)16-18-31(3,4)36-29)25(32)14-13-20-9-8-12-22(19-20)34-21-10-6-5-7-11-21/h5-14,19,33H,15-18H2,1-4H3/b14-13+
InChIKey	ACUZAXKMGHVFGH-BUHFOSPRSA-N Google Search
Mol Weight	484.6 g/mol
Molecular Formula	C31H32O5
Exact Mass	484.224974 g/mol

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SpectraBase Spectrum ID	1ugScj4Y1sC
Name	9-Hydroxy-10-(3'-phenoxycinnamoyl)-2,2,6,6-tetramethyltetrahydrobenzo[1,2-B:3,4-B']dipyran
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	484.224974125 u
Formula	C31H32O5
InChI	InChI=1S/C31H32O5/c1-30(2)17-15-23-27(33)26(29-24(28(23)35-30)16-18-31(3,4)36-29)25(32)14-13-20-9-8-12-22(19-20)34-21-10-6-5-7-11-21/h5-14,19,33H,15-18H2,1-4H3/b14-13+
InChIKey	ACUZAXKMGHVFGH-BUHFOSPRSA-N
Molecular Weight	484.592 g/mol
SMILES	C=1(C2=C(CCC(O2)(C)C)C2=C(C1O)CCC(O2)(C)C)C(\C=C\C=1C=C(OC2=CC=CC=C2)C=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.962404