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1-Naphthaleneacetic acid, pentadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1-Naphthaleneacetic acid, pentadecyl ester
SpectraBase Compound ID Df6m2HCZd8
InChI InChI=1S/C27H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-29-27(28)23-25-20-17-19-24-18-14-15-21-26(24)25/h14-15,17-21H,2-13,16,22-23H2,1H3
InChIKey FZVAATALWMJBCF-UHFFFAOYSA-N
Mol Weight 396.6 g/mol
Molecular Formula C27H40O2
Exact Mass 396.302831 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8PJVM3STeKd
Name 1-Naphthaleneacetic acid, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.302830526 u
Formula C27H40O2
InChI InChI=1S/C27H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-29-27(28)23-25-20-17-19-24-18-14-15-21-26(24)25/h14-15,17-21H,2-13,16,22-23H2,1H3
InChIKey FZVAATALWMJBCF-UHFFFAOYSA-N
Molecular Weight 396.615 g/mol
SMILES C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861284