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5-Hydroxy-7-methoxy-2-tritriacontyl-1-benzopyran-4-one

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

5-Hydroxy-7-methoxy-2-tritriacontyl-1-benzopyran-4-one
SpectraBase Compound ID F03TMsgxvis
InChI InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3
InChIKey VCUFPKRXFVNKKD-UHFFFAOYSA-N
Mol Weight 655.1 g/mol
Molecular Formula C43H74O4
Exact Mass 654.558711 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID gGS4RQri3N
Name 5-Hydroxy-7-methoxy-2-tritriacontyl-1-benzopyran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.558710859 u
Formula C43H74O4
InChI InChI=1S/C43H74O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35-40(44)43-41(45)36-39(46-2)37-42(43)47-38/h35-37,45H,3-34H2,1-2H3
InChIKey VCUFPKRXFVNKKD-UHFFFAOYSA-N
Molecular Weight 655.061 g/mol
SMILES C=12C(C=C(OC2=CC(=CC1O)OC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835043