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(E)-methyl (4-methylhex-3-en-5-yn-2-yl) carbonate

View entire compound with spectra: 1 MS (GC)

(E)-methyl (4-methylhex-3-en-5-yn-2-yl) carbonate
SpectraBase Compound ID 3PtA9TXpPSr
InChI InChI=1S/C9H12O3/c1-5-7(2)6-8(3)12-9(10)11-4/h1,6,8H,2-4H3/b7-6+
InChIKey VROYORGVASRPKF-VOTSOKGWSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeJ5DQqy6lA
Name (E)-methyl (4-methylhex-3-en-5-yn-2-yl) carbonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-7(2)6-8(3)12-9(10)11-4/h1,6,8H,2-4H3/b7-6+
InChIKey VROYORGVASRPKF-VOTSOKGWSA-N
Literature Reference DOI 10.1021/jo5014993
Molecular Weight 168.192 g/mol
SMILES C(\C(C)=C\C(C)OC(=O)OC)#C
SPLASH splash10-0a4l-9700000000-f50799d0377494f9ed52
Source of Spectrum J-79-9227-(E)_1p
Wiley ID 1748151