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4-{2'-((isopropoxycarbonyl)-1'-propenyl}-3,3-dimethyl-3,4-dihydrobenzopyran-2H-2-one

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-{2'-((isopropoxycarbonyl)-1'-propenyl}-3,3-dimethyl-3,4-dihydrobenzopyran-2H-2-one
SpectraBase Compound ID 6XHFMRdTvzR
InChI InChI=1S/C18H22O4/c1-11(2)21-16(19)12(3)10-14-13-8-6-7-9-15(13)22-17(20)18(14,4)5/h6-11,14H,1-5H3/b12-10+
InChIKey UZFFUIIWLPNVFG-ZRDIBKRKSA-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 GgNRQJYO5CU
Name 4-{2'-((isopropoxycarbonyl)-1'-propenyl}-3,3-dimethyl-3,4-dihydrobenzopyran-2H-2-one
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)21-16(19)12(3)10-14-13-8-6-7-9-15(13)22-17(20)18(14,4)5/h6-11,14H,1-5H3/b12-10+
InChIKey UZFFUIIWLPNVFG-ZRDIBKRKSA-N
SMILES C1(C(C(=O)OC=2C1=CC=CC2)(C)C)\C=C\(C(OC(C)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955351