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2-octyl-3-undecyloxirane
SpectraBase Compound ID HeASmAJY9Nq
InChI InChI=1S/C21H42O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey VIGNYTVGGIEXBN-UHFFFAOYSA-N
Mol Weight 310.6 g/mol
Molecular Formula C21H42O
Exact Mass 310.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dFm4AEMXOB
Name 2-octyl-3-undecyloxirane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H42O
InChI InChI=1S/C21H42O/c1-3-5-7-9-11-12-13-15-17-19-21-20(22-21)18-16-14-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKey VIGNYTVGGIEXBN-UHFFFAOYSA-N
Instrument Name Agilent model 7890A-7200 Q-TOF
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202201275
Molecular Weight 310.566 g/mol
SMILES C(CCCCCCC)C1OC1CCCCCCCCCCC
SPLASH splash10-05o3-9200000000-856ab7f36fe5521da158
Source of Spectrum CSC-15-SM35-Figure S30
Wiley ID 1880685