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(-)-(R)-3-(Thien-2-yl)hexan-1-ol
SpectraBase Compound ID 1ayDSnXwWRE
InChI InChI=1S/C10H16OS/c1-2-4-9(6-7-11)10-5-3-8-12-10/h3,5,8-9,11H,2,4,6-7H2,1H3/t9-/m1/s1
InChIKey FMHKNGCCRZRGBJ-SECBINFHSA-N
Mol Weight 184.3 g/mol
Molecular Formula C10H16OS
Exact Mass 184.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNlqTy1Gobi
Name (-)-(R)-3-(Thien-2-yl)hexan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.092186308 u
Formula C10H16OS
InChI InChI=1S/C10H16OS/c1-2-4-9(6-7-11)10-5-3-8-12-10/h3,5,8-9,11H,2,4,6-7H2,1H3/t9-/m1/s1
InChIKey FMHKNGCCRZRGBJ-SECBINFHSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302438k
Molecular Weight 184.297 g/mol
Optical Rotation [a]D20 = -6.5 (c = 1.16, CH2Cl2)
Quality 94
Reported Formula C10H16OS
SMILES OCC[C@@](CCC)(C1=CC=CS1)[H]
SPLASH splash10-0h01-3900000000-c1dc7c4de7bdd0a5aec3
Sample Comments dr = 97:3
Source of Spectrum JOC-78-622-10c (DOI: 10.1021/jo302438k)
Wiley ID 1911668