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1-Octyn-3-ol
SpectraBase Compound ID CgZzaVDaFxV
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKey VUGRNZHKYVHZSN-UHFFFAOYSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1iGYHEMFHM
Name oct-1-yn-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 126.104465070 u
Formula C8H14O
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
InChIKey VUGRNZHKYVHZSN-UHFFFAOYSA-N
Instrument Name Agilent 6890N-Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.2c00616
Molecular Weight 126.199 g/mol
Quality 939
SMILES OC(C#C)CCCCC
SPLASH splash10-052f-9000000000-d8207a61d0c3de986b5b
Source of Spectrum JOC-88-SM29-29-1 (DOI: 10.1021/acs.joc.2c00616)
Wiley ID 1912574