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(S)-2,3-dimethylbut-3-en-1-ol
SpectraBase Compound ID 8NHEfOvu0UA
InChI InChI=1S/C6H12O/c1-5(2)6(3)4-7/h6-7H,1,4H2,2-3H3/t6-/m1/s1
InChIKey OSUIFWPTEFZCMB-ZCFIWIBFSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqqsdllFBIj
Name (S)-2,3-dimethylbut-3-en-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O
InChI InChI=1S/C6H12O/c1-5(2)6(3)4-7/h6-7H,1,4H2,2-3H3/t6-/m1/s1
InChIKey OSUIFWPTEFZCMB-ZCFIWIBFSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202200091
Molecular Weight 100.161 g/mol
Optical Rotation [a]D20 = -9.0 (c = 0.67, CH2Cl2)
SMILES OC[C@](C(C)=C)(C)[H]
SPLASH splash10-00kf-9000000000-540ff851e27417c58ead
Source of Spectrum CBC-23-SM26-(S)-S6
Thin-Layer Chromatography Rf = 0.50 (n-pentane/diethyl ether, 1:1)
Wiley ID 1873194