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Heptadecan-1-ol, nicotinate

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

Heptadecan-1-ol, nicotinate
SpectraBase Compound ID 7oKvFMprZRo
InChI InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-23(25)22-18-17-19-24-21-22/h17-19,21H,2-16,20H2,1H3
InChIKey NBHWTRRFTRBYCL-UHFFFAOYSA-N
Mol Weight 361.6 g/mol
Molecular Formula C23H39NO2
Exact Mass 361.298079 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 75h4Sywi5Qr
Name Heptadecan-1-ol, nicotinate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.298079498 u
Formula C23H39NO2
InChI InChI=1S/C23H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-23(25)22-18-17-19-24-21-22/h17-19,21H,2-16,20H2,1H3
InChIKey NBHWTRRFTRBYCL-UHFFFAOYSA-N
Molecular Weight 361.570 g/mol
SMILES C1=CN=CC(=C1)C(=O)OCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90033