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5,8-Epithio-13H-dibenzo[a,g]cyclotridecene, 14,15,16,17-tetrahydro-15-iodo-
SpectraBase Compound ID 8rObNXW0P0z
InChI InChI=1S/C21H19IS/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/h1-8,13-14,17H,9-12H2
InChIKey OMYARYPHAHOJPY-UHFFFAOYSA-N
Mol Weight 430.35 g/mol
Molecular Formula C21H19IS
Exact Mass 430.025217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HyJj8raudiF
Name 5,8-Epithio-13H-dibenzo[a,g]cyclotridecene, 14,15,16,17-tetrahydro-15-iodo-
CAS Registry Number 114649-20-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19IS
InChI InChI=1S/C21H19IS/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/h1-8,13-14,17H,9-12H2
InChIKey OMYARYPHAHOJPY-UHFFFAOYSA-N
Molecular Weight 430.347 g/mol
SMILES c-12sc(cc2)-c2c(CCC(I)CCc3c1cccc3)cccc2
SPLASH splash10-0gb9-0946000000-05866e2e50e448b0cc09
Source of Spectrum KC-1987-2330-0
Synonyms 10-iodo-22-thiatetracyclo[17.2.1.0(2,7).0(13,18)]docosa-1(21),2,4,6,13,15,17,19-octaene 15-iodo-13,14,16,17-tetrahydro-5,8-epithiodibenzo[a,g]-cyclotridecene
Wiley ID 1381432