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4-Benzyl-3-ethylcarboxy-2-chromanone

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

4-Benzyl-3-ethylcarboxy-2-chromanone
SpectraBase Compound ID 7B4J9BiDHzn
InChI InChI=1S/C19H18O4/c1-2-19(17(20)21)15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)23-18(19)22/h3-11,15H,2,12H2,1H3,(H,20,21)
InChIKey SEGYCFQNUVIFRV-UHFFFAOYSA-N
Mol Weight 310.35 g/mol
Molecular Formula C19H18O4
Exact Mass 310.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1cRfSS3n87Y
Name 4-Benzyl-3-ethylcarboxy-2-chromanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.120509056 u
Formula C19H18O4
InChI InChI=1S/C19H18O4/c1-2-19(17(20)21)15(12-13-8-4-3-5-9-13)14-10-6-7-11-16(14)23-18(19)22/h3-11,15H,2,12H2,1H3,(H,20,21)
InChIKey SEGYCFQNUVIFRV-UHFFFAOYSA-N
Molecular Weight 310.349 g/mol
SMILES C1(C(C(C=2C=CC=CC2O1)CC=1C=CC=CC1)(CC)C(=O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894794