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Oxirane, 2-methyl-3-(1-methyl-3-butynyl)-, [2S-[2.alpha.,3.beta.(S*)]]-
SpectraBase Compound ID HG9kHT9R36h
InChI InChI=1S/C8H12O/c1-4-5-6(2)8-7(3)9-8/h1,6-8H,5H2,2-3H3/t6?,7-,8-/m0/s1
InChIKey KIIJPSBAFUJFSD-ALKRTJFJSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDM2eRKYwr8
Name Oxirane, 2-methyl-3-(1-methyl-3-butynyl)-, [2S-[2.alpha.,3.beta.(S*)]]-
Alternate Name(s) (2S,3S)-2-methyl-3-[(1R)-1-methyl-3-butynyl]oxirane trans-3-methyl-2-(1-methyl-3-butynyl)oxirane
CAS Registry Number 128386-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-4-5-6(2)8-7(3)9-8/h1,6-8H,5H2,2-3H3/t6?,7-,8-/m0/s1
InChIKey KIIJPSBAFUJFSD-ALKRTJFJSA-N
Molecular Weight 124.183 g/mol
SMILES [C@@]1(O[C@]1(C)[H])(C(CC#C)C)[H]
SPLASH splash10-00or-9100000000-93df62544dd65867ff07
Source of Spectrum C-112-5985-42
Wiley ID 1129061