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Benzene, hexadecylmethyl-

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

Benzene, hexadecylmethyl-
SpectraBase Compound ID 2Pfrf7ADHIe
InChI InChI=1S/C23H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-21-18-17-19-22(23)2/h17-19,21H,3-16,20H2,1-2H3
InChIKey KZUZOZNAAJKAFW-UHFFFAOYSA-N
Mol Weight 316.6 g/mol
Molecular Formula C23H40
Exact Mass 316.313001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CTiYwqHsTsY
Name Benzene, hexadecylmethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.313001288 u
Formula C23H40
InChI InChI=1S/C23H40/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-21-18-17-19-22(23)2/h17-19,21H,3-16,20H2,1-2H3
InChIKey KZUZOZNAAJKAFW-UHFFFAOYSA-N
Molecular Weight 316.573 g/mol
SMILES C=1(C(CCCCCCCCCCCCCCCC)=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893671