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5-Bromanyl-2-phenylsulfanyl-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
SpectraBase Compound ID 4Eaqk0m3tf1
InChI InChI=1S/C17H13BrS/c18-16-10-11-17(19-15-8-2-1-3-9-15)14-7-5-4-6-13(16)12-14/h1-11H,12H2
InChIKey NJPUITOKSSWHAU-UHFFFAOYSA-N
Mol Weight 329.26 g/mol
Molecular Formula C17H13BrS
Exact Mass 327.992135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hht3xtTqnFM
Name 5-Bromanyl-2-phenylsulfanyl-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13BrS
InChI InChI=1S/C17H13BrS/c18-16-10-11-17(19-15-8-2-1-3-9-15)14-7-5-4-6-13(16)12-14/h1-11H,12H2
InChIKey NJPUITOKSSWHAU-UHFFFAOYSA-N
Molecular Weight 329.255 g/mol
SMILES C1(=C2CC(C=CC=C2)=C(C=C1)Br)Sc1ccccc1
SPLASH splash10-00kr-0797000000-afa147b78e5ebc5b89d8
Source of Spectrum H-80-136-10
Synonyms 5-Bromo-2-(phenylthio)bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene 5-Bromo-2-phenylsulfanyl-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
Wiley ID 1326092