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2-Thiepinmethanol, .alpha.-(2-bromophenyl)-4,5,6,7-tetrahydro-, 1-oxide, (R*,R*)-
SpectraBase Compound ID 1Pk3BlzvNqO
InChI InChI=1S/C13H15BrO2S/c14-11-7-4-3-6-10(11)13(15)12-8-2-1-5-9-17(12)16/h3-4,6-8,13,15H,1-2,5,9H2
InChIKey UMSKCOWGOVQWAY-UHFFFAOYSA-N
Mol Weight 315.23 g/mol
Molecular Formula C13H15BrO2S
Exact Mass 313.997614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVzhVZTKOMs
Name 2-Thiepinmethanol, .alpha.-(2-bromophenyl)-4,5,6,7-tetrahydro-, 1-oxide, (R*,R*)-
Alternate Name(s) (2-bromophenyl)(1-oxido-4,5,6,7-tetrahydro-2-thiepinyl)methanol 2-(1-O-bromophenyl-1-hydroxymethyl)-1-thiacyclohept-2-ene 1-oxide
CAS Registry Number 79575-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrO2S
InChI InChI=1S/C13H15BrO2S/c14-11-7-4-3-6-10(11)13(15)12-8-2-1-5-9-17(12)16/h3-4,6-8,13,15H,1-2,5,9H2
InChIKey UMSKCOWGOVQWAY-UHFFFAOYSA-N
Molecular Weight 315.225 g/mol
SMILES OC(C=1S(=O)CCCCC1)c1c(Br)cccc1
SPLASH splash10-002s-5690000000-a569f36e3762400caf81
Source of Spectrum B-34-1034-0
Wiley ID 1314665