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3-Methyl-3-(4,8,12-trimethyltridecyl)-2-oxiranecarboxaldehyde

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

3-Methyl-3-(4,8,12-trimethyltridecyl)-2-oxiranecarboxaldehyde
SpectraBase Compound ID BkVMmctkhYZ
InChI InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5)19(15-21)22-20/h15-19H,6-14H2,1-5H3
InChIKey AOIAAMJHUQTJKQ-UHFFFAOYSA-N
Mol Weight 310.5 g/mol
Molecular Formula C20H38O2
Exact Mass 310.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EQjEW3nyxCV
Name 3-Methyl-3-(4,8,12-trimethyltridecyl)-2-oxiranecarboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.287180462 u
Formula C20H38O2
InChI InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5)19(15-21)22-20/h15-19H,6-14H2,1-5H3
InChIKey AOIAAMJHUQTJKQ-UHFFFAOYSA-N
Molecular Weight 310.522 g/mol
SMILES C1(OC1C=O)(CCCC(CCCC(CCCC(C)C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.903625