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Oxatomide

View entire compound with spectra: 1 NMR, 1 Raman, 3 MS (GC), and 2 MS (LC)

Oxatomide
SpectraBase Compound ID LadjluYSUcq
InChI InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
InChIKey BAINIUMDFURPJM-UHFFFAOYSA-N
Mol Weight 426.56 g/mol
Molecular Formula C27H30N4O
Exact Mass 426.241962 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3MDwaq12ISq
Name Oxatomide in kbr
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.241961601 u
Formula C27H30N4O
InChI InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)
InChIKey BAINIUMDFURPJM-UHFFFAOYSA-N
Molecular Weight 426.564 g/mol
SMILES N1C(N(C2=C1C=CC=C2)CCCN1CCN(C(C2=CC=CC=C2)C=2C=CC=CC2)CC1)=O
Spectrum/Structure Validation Score (Raman) 0.994917