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Pyrocatechol dipentyl ether

View entire compound with spectra: 1 FTIR

Pyrocatechol dipentyl ether
SpectraBase Compound ID 9N61Shm1bbv
InChI InChI=1S/C16H26O2/c1-3-5-9-13-17-15-11-7-8-12-16(15)18-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey XYJBIADAEAEWNG-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EUV4teyjT2a
Name Pyrocatechol dipentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-3-5-9-13-17-15-11-7-8-12-16(15)18-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKey XYJBIADAEAEWNG-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES C1=C(C(=CC=C1)OCCCCC)OCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972861