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(2S,3R)-2-decyl-3-(3-methylbutoxymethyl)oxirane

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

(2S,3R)-2-decyl-3-(3-methylbutoxymethyl)oxirane
SpectraBase Compound ID Eay3jrT7sZd
InChI InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-17-18(20-17)15-19-14-13-16(2)3/h16-18H,4-15H2,1-3H3/t17-,18+/m0/s1
InChIKey UPIIBAGPWJSLOY-ZWKOTPCHSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LNFiHeFzgXL
Name (2S,3R)-2-Decyl-3-(3-methylbutoxymethyl)oxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.271530397 u
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-4-5-6-7-8-9-10-11-12-17-18(20-17)15-19-14-13-16(2)3/h16-18H,4-15H2,1-3H3/t17-,18+/m0/s1
InChIKey UPIIBAGPWJSLOY-ZWKOTPCHSA-N
SMILES [C@]1(O[C@]1(CCCCCCCCCC)[H])(COCCC(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820872