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2(3H)-Thiophenone, 5-(bromomethyl)dihydro-3-methyl-, trans-
SpectraBase Compound ID F3I8XsKkuug
InChI InChI=1S/C6H9BrOS/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey XDFPDMUVEGWOGJ-UHNVWZDZSA-N
Mol Weight 209.1 g/mol
Molecular Formula C6H9BrOS
Exact Mass 207.955749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELY0DyozXt0
Name 2(3H)-Thiophenone, 5-(bromomethyl)dihydro-3-methyl-, trans-
CAS Registry Number 88431-15-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9BrOS
InChI InChI=1S/C6H9BrOS/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKey XDFPDMUVEGWOGJ-UHNVWZDZSA-N
Molecular Weight 209.101 g/mol
SMILES C1(S[C@](CBr)(C[C@]1(C)[H])[H])=O
SPLASH splash10-016r-5900000000-a505d7101aeeb19fcdf3
Source of Spectrum C-106-1084-0
Synonyms (3R,5S)-5-(bromomethyl)-3-methyl-2-thiolanone (3R,5S)-5-(bromomethyl)-3-methyl-tetrahydrothiophen-2-one (3R,5S)-5-(bromomethyl)-3-methyl-thiolan-2-one
Wiley ID 1206103