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5,7,12,13-Tetrahydro-3,9-ethanodibenzo(c,g)thionin
SpectraBase Compound ID INYImkLO3O0
InChI InChI=1S/C18H18S/c1-2-14-3-5-15-7-8-16-9-13(1)4-6-17(16)11-19-12-18(15)10-14/h3-6,9-10H,1-2,7-8,11-12H2
InChIKey AADGJUCHGAOPDT-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C18H18S
Exact Mass 266.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cSQ3lFspeS
Name 5,7,12,13-Tetrahydro-3,9-ethanodibenzo(c,g)thionin
CAS Registry Number 74498-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18S
InChI InChI=1S/C18H18S/c1-2-14-3-5-15-7-8-16-9-13(1)4-6-17(16)11-19-12-18(15)10-14/h3-6,9-10H,1-2,7-8,11-12H2
InChIKey AADGJUCHGAOPDT-UHFFFAOYSA-N
Molecular Weight 266.402 g/mol
SMILES c12c3ccc(c2)CCc2ccc(c(c2)CSC3)CC1
SPLASH splash10-00kb-0920000000-8493cb8ad5093c968258
Source of Spectrum J-45-3980-0
Synonyms 5-Thiatetracyclo[8.7.2.0(3,15).0(7,12)]nonadeca-1(17),2,7,9,11,15-hexaene
Wiley ID 1270692