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3H-3a,6-Epoxybenzo[c]thiophene, 6-[[(2-bromophenyl)methoxy]methyl]-1,6,7,7a-tetrahydro-, (3a.alpha.,6.alpha.,7a.beta.)-
SpectraBase Compound ID AzaNgxRWeLQ
InChI InChI=1S/C16H17BrO2S/c17-14-4-2-1-3-12(14)8-18-10-15-5-6-16(19-15)11-20-9-13(16)7-15/h1-6,13H,7-11H2
InChIKey MNSZKGJNQUAVTM-UHFFFAOYSA-N
Mol Weight 353.27 g/mol
Molecular Formula C16H17BrO2S
Exact Mass 352.013264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oNsLzkVWub
Name 3H-3a,6-Epoxybenzo[c]thiophene, 6-[[(2-bromophenyl)methoxy]methyl]-1,6,7,7a-tetrahydro-, (3a.alpha.,6.alpha.,7a.beta.)-
CAS Registry Number 123100-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BrO2S
InChI InChI=1S/C16H17BrO2S/c17-14-4-2-1-3-12(14)8-18-10-15-5-6-16(19-15)11-20-9-13(16)7-15/h1-6,13H,7-11H2
InChIKey MNSZKGJNQUAVTM-UHFFFAOYSA-N
Molecular Weight 353.274 g/mol
SMILES C123OC(COCc4c(Br)cccc4)(CC1CSC2)C=C3
SPLASH splash10-00tb-1920000000-6395edab2aad8ebe0e4e
Source of Spectrum J-54-5085-77
Synonyms 1,3,3a,4,5,7a-hexahydro-5,7a-epoxy-5-[(((2-bromophenyl)methyl)oxy)methyl]benzo[c]thiophene 2-Bromobenzyl 10-oxa-3-thiatricyclo[5.2.1.0(1,5)]dec-8-en-7-ylmethyl ether 7-{[(2-bromobenzyl)oxy]methyl}-10-oxa-3-thiatricyclo[5.2.1.0(1,5)]dec-8-ene
Wiley ID 1343011