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Np2Ecme - isomer o

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

Np2Ecme - isomer o
SpectraBase Compound ID KieK6wRE71e
InChI InChI=1S/C20H32O4/c1-4-6-7-11-17(10-5-2)18-12-8-9-13-19(18)24-15-14-23-16-20(21)22-3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3
InChIKey IERWJUUVZOVEPL-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4YiiDGqk1U8
Name Np2Ecme - isomer o
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-4-6-7-11-17(10-5-2)18-12-8-9-13-19(18)24-15-14-23-16-20(21)22-3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3
InChIKey IERWJUUVZOVEPL-UHFFFAOYSA-N
Molecular Weight 336.472 g/mol
SMILES C=1(C(OCCOCC(=O)OC)=CC=CC1)C(CCC)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.89507