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2-Propenoic acid, 2-methyl-, 1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Propenoic acid, 2-methyl-, 1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl ester
SpectraBase Compound ID HFrA2RAmQbG
InChI InChI=1S/C18H22O4/c1-11(2)17(19)21-12(3)14-9-13-7-8-18(4,5)22-15(13)10-16(14)20-6/h7-10,12H,1H2,2-6H3
InChIKey XZTRMDZIAICQAJ-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BcpxtTAA0cW
Name 2-Propenoic acid, 2-methyl-, 1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-11(2)17(19)21-12(3)14-9-13-7-8-18(4,5)22-15(13)10-16(14)20-6/h7-10,12H,1H2,2-6H3
InChIKey XZTRMDZIAICQAJ-UHFFFAOYSA-N
SMILES C=1(C=C2C=CC(OC2=CC1OC)(C)C)C(OC(C(=C)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962785