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5,8-Epithio-15H-dibenzo[a,g]cyclotridecen-15-one, 13,14,16,17-tetrahydro-
SpectraBase Compound ID 7y16SEzwEKS
InChI InChI=1S/C21H18OS/c22-17-11-9-15-5-1-3-7-18(15)20-13-14-21(23-20)19-8-4-2-6-16(19)10-12-17/h1-8,13-14H,9-12H2
InChIKey RANTUXUVDROTJC-UHFFFAOYSA-N
Mol Weight 318.43 g/mol
Molecular Formula C21H18OS
Exact Mass 318.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lnws5WfX7HX
Name 5,8-Epithio-15H-dibenzo[a,g]cyclotridecen-15-one, 13,14,16,17-tetrahydro-
CAS Registry Number 114657-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18OS
InChI InChI=1S/C21H18OS/c22-17-11-9-15-5-1-3-7-18(15)20-13-14-21(23-20)19-8-4-2-6-16(19)10-12-17/h1-8,13-14H,9-12H2
InChIKey RANTUXUVDROTJC-UHFFFAOYSA-N
Molecular Weight 318.434 g/mol
SMILES c-12sc(cc2)-c2c(CCC(=O)CCc3c1cccc3)cccc2
SPLASH splash10-014i-0009000000-cb1edfbe91d66904b70d
Source of Spectrum KC-1987-2330-43
Synonyms 13,14,16,17-Tetrahydro-5,8-epothiodibenzo[a,g]cyclotridecen-15-one 22-thiatetracyclo[17.2.1.0(2,7).0(13,18)]docosa-1(21),2,4,6,13,15,17,19-octaen-10-one
Wiley ID 1318871