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4,5,6,7-Tetrabromo-1,3-dihydro-2-methoxybenzo[c]thiophenium trifluoromethanesulfonate
SpectraBase Compound ID 98eeeOCxI9F
InChI InChI=1S/C9H7Br4OS.CHF3O3S/c1-14-15-2-4-5(3-15)7(11)9(13)8(12)6(4)10;2-1(3,4)8(5,6)7/h2-3H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey ZYBZNZJOQMOCQV-UHFFFAOYSA-M
Mol Weight 631.89 g/mol
Molecular Formula C10H7Br4F3O4S2
Exact Mass 627.647138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUwm9bsqcae
Name 4,5,6,7-Tetrabromo-1,3-dihydro-2-methoxybenzo[c]thiophenium trifluoromethanesulfonate
Alternate Name(s) 4,5,6,7-tetrabromo-2-methoxy-2,3-dihydro-1H-benzo[c]thiophen-2-ium trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Br4F3O4S2
InChI InChI=1S/C9H7Br4OS.CHF3O3S/c1-14-15-2-4-5(3-15)7(11)9(13)8(12)6(4)10;2-1(3,4)8(5,6)7/h2-3H2,1H3;(H,5,6,7)/q+1;/p-1
InChIKey ZYBZNZJOQMOCQV-UHFFFAOYSA-M
Molecular Weight 631.893 g/mol
SMILES C1c2c(C[S+]1OC)c(c(c(c2Br)Br)Br)Br.C(S([O-])(=O)=O)(F)(F)F
SPLASH splash10-0f6t-0002900000-e2e9ce501bfa19ae8612
Source of Spectrum K-124-653-10d
Wiley ID 1792179