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3-Brom-endo-6-(phenylthio)bicyclo[3.1.1]hept-3-en-endo-2-ol
SpectraBase Compound ID 35gY834UQAm
InChI InChI=1S/C13H13BrOS/c14-11-7-8-6-10(12(11)15)13(8)16-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,15H,6H2
InChIKey PVINSPCJMAZRPG-UHFFFAOYSA-N
Mol Weight 297.21 g/mol
Molecular Formula C13H13BrOS
Exact Mass 295.987049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3clz1wnJ2G
Name 3-Brom-endo-6-(phenylthio)bicyclo[3.1.1]hept-3-en-endo-2-ol
Alternate Name(s) 3-Bromo-6-(phenylsulfanyl)bicyclo[3.1.1]hept-3-en-2-ol
CAS Registry Number 102870-53-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BrOS
InChI InChI=1S/C13H13BrOS/c14-11-7-8-6-10(12(11)15)13(8)16-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,15H,6H2
InChIKey PVINSPCJMAZRPG-UHFFFAOYSA-N
Molecular Weight 297.210 g/mol
SMILES OC1C(Br)=CC2CC1C2Sc1ccccc1
SPLASH splash10-056r-9800000000-e839c2354bd6ccc931bb
Source of Spectrum K-119-3041-6
Wiley ID 1298688