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5,6,7,7a,9,10,11,11a-Octahydro-7-phenylthio-8H-12-thiabenz[a]anthracen-8-one
SpectraBase Compound ID L0Hq8D6E7Ge
InChI InChI=1S/C23H22OS2/c24-19-11-6-12-20-21(19)23(25-16-8-2-1-3-9-16)18-14-13-15-7-4-5-10-17(15)22(18)26-20/h1-5,7-10,20-21,23H,6,11-14H2
InChIKey VTSLTTHGVJEMGL-UHFFFAOYSA-N
Mol Weight 378.55 g/mol
Molecular Formula C23H22OS2
Exact Mass 378.111208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HNIjbzeEfIY
Name 5,6,7,7a,9,10,11,11a-Octahydro-7-phenylthio-8H-12-thiabenz[a]anthracen-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22OS2
InChI InChI=1S/C23H22OS2/c24-19-11-6-12-20-21(19)23(25-16-8-2-1-3-9-16)18-14-13-15-7-4-5-10-17(15)22(18)26-20/h1-5,7-10,20-21,23H,6,11-14H2
InChIKey VTSLTTHGVJEMGL-UHFFFAOYSA-N
Molecular Weight 378.548 g/mol
SMILES C12=C(C(Sc3ccccc3)C3C(S1)CCCC3=O)CCc1c2cccc1
SPLASH splash10-03xr-0290000000-0b0baef20c3ce0de2621
Source of Spectrum AJ-65-2060-4
Synonyms 7-(Phenylsulfanyl)-5,6,7,7a,9,10,11,11a-octahydro-8H-naphtho[1,2-b][1]benzothiopyran-8-one
Wiley ID 771464