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Phthalate, Di-n-pentyl

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 11 MS (GC)

Phthalate, Di-n-pentyl
SpectraBase Compound ID 66Hu9p5Urvb
InChI InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey IPKKHRVROFYTEK-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C18H26O4
Exact Mass 306.183109 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HU68OOvqvju
Name Phthalate (di-N-pentyl)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.183109313 u
Formula C18H26O4
InChI InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey IPKKHRVROFYTEK-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=C(C(=CC=C1)C(OCCCCC)=O)C(=O)OCCCCC
Spectrum/Structure Validation Score (Raman) 0.976987