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Benzene, (1-hexadecylheptadecyl)-

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

Benzene, (1-hexadecylheptadecyl)-
SpectraBase Compound ID 4W2SyjNoZEg
InChI InChI=1S/C39H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-38(39-36-32-29-33-37-39)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32-33,36-38H,3-28,30-31,34-35H2,1-2H3
InChIKey UZKLDVKDLHPERA-UHFFFAOYSA-N
Mol Weight 541.0 g/mol
Molecular Formula C39H72
Exact Mass 540.563402 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EjiTw7ZTxmm
Name Benzene, (1-hexadecylheptadecyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.563402318 u
Formula C39H72
InChI InChI=1S/C39H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-38(39-36-32-29-33-37-39)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32-33,36-38H,3-28,30-31,34-35H2,1-2H3
InChIKey UZKLDVKDLHPERA-UHFFFAOYSA-N
Molecular Weight 541.005 g/mol
SMILES C(C(CCCCCCCCCCCCCCCC)C1=CC=CC=C1)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925585