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2-(3-Methylbenzyl)-1-naphthoic acid

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

2-(3-Methylbenzyl)-1-naphthoic acid
SpectraBase Compound ID FirU2GF77Qw
InChI InChI=1S/C19H16O2/c1-13-5-4-6-14(11-13)12-16-10-9-15-7-2-3-8-17(15)18(16)19(20)21/h2-11H,12H2,1H3,(H,20,21)
InChIKey SJLBCQCATFWNKT-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C19H16O2
Exact Mass 276.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID He6La5MU3TF
Name 2-(3-Methylbenzyl)-1-naphthoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.115029753 u
Formula C19H16O2
InChI InChI=1S/C19H16O2/c1-13-5-4-6-14(11-13)12-16-10-9-15-7-2-3-8-17(15)18(16)19(20)21/h2-11H,12H2,1H3,(H,20,21)
InChIKey SJLBCQCATFWNKT-UHFFFAOYSA-N
SMILES C(=O)(O)C1=C2C(=CC=C1CC1=CC(C)=CC=C1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931253