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(Z)-(4-2H)-3-Methylbut-3-en-1-ol
SpectraBase Compound ID EDbdiCNUCjf
InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3/i1D/b5-1-
InChIKey CPJRRXSHAYUTGL-MUHQOPHSSA-N
Mol Weight 87.14 g/mol
Molecular Formula C5H9DO
Exact Mass 87.079442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID s5mSv0TFGD
Name (Z)-(4-2H)-3-Methylbut-3-en-1-ol
Appearance Colourless liquid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 87.079441687 u
Formula C5H9DO
InChI InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3/i1D/b5-1-
InChIKey CPJRRXSHAYUTGL-MUHQOPHSSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201800385
Molecular Weight 87.140 g/mol
Quality 323
SMILES OCC\C(C)=C/[D]
SPLASH splash10-0aor-9000000000-a279a1ac26451b57b33c
Source of Spectrum ACI-57-SM26-S12 (DOI: 10.1002/anie.201800385)
Thin-Layer Chromatography 0.42 (cyclohexane/EtOAc, 3:1)
Wiley ID 1890619