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Di(isopentyl)phthalate

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

Di(isopentyl)phthalate
SpectraBase Compound ID 7ZOzMeb38IU
InChI InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKey JANBFCARANRIKJ-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 JmhEIJ7LY6d
Name di(Isopentyl)phthalate
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/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKey JANBFCARANRIKJ-UHFFFAOYSA-N
Molecular Weight 306.402 g/mol
SMILES C1=CC(=C(C=C1)C(OCCC(C)C)=O)C(OCCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.964358