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(1S,2S)-2-(But-2-yn-1-yl)cyclopent-3-en-1-ol
SpectraBase Compound ID 5jfk3b5mddL
InChI InChI=1S/C9H12O/c1-2-3-5-8-6-4-7-9(8)10/h4,6,8-10H,5,7H2,1H3/t8-,9-/m0/s1
InChIKey VWABMQQZKWZORI-IUCAKERBSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3oSBT34Zg2v
Name (1S,2S)-2-(But-2-yn-1-yl)cyclopent-3-en-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 136.088815005 u
Formula C9H12O
InChI InChI=1S/C9H12O/c1-2-3-5-8-6-4-7-9(8)10/h4,6,8-10H,5,7H2,1H3/t8-,9-/m0/s1
InChIKey VWABMQQZKWZORI-IUCAKERBSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404873
Molecular Weight 136.194 g/mol
Optical Rotation [a]D20 = -35 (c = 2.0, CHCl3)
Quality 271
Reported Formula C9H12O
SMILES O[C@@]1([C@@](CC#CC)(C=CC1)[H])[H]
SPLASH splash10-067i-9500000000-92e7918a3b55f19be180
Source of Spectrum QE-21-SM8-S21 (DOI: 10.1002/chem.201404873)
Wiley ID 1906304