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exo-10-(p-Chlorophenyl)benz[c]-3-thiatetracyclo[10.2.1.0.0]hexadeca-4,13-diene
SpectraBase Compound ID EnqaHhwp82x
InChI InChI=1S/C24H21ClS/c25-18-10-7-15(8-11-18)21-20-12-9-14-3-1-2-4-19(14)24(20)26-23-17-6-5-16(13-17)22(21)23/h1-8,10-11,16-17,21-23H,9,12-13H2
InChIKey XLANXVZJNMHEGB-UHFFFAOYSA-N
Mol Weight 376.95 g/mol
Molecular Formula C24H21ClS
Exact Mass 376.10525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52C8y8uP5df
Name exo-10-(p-Chlorophenyl)benz[c]-3-thiatetracyclo[10.2.1.0.0]hexadeca-4,13-diene
CAS Registry Number 71436-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21ClS
InChI InChI=1S/C24H21ClS/c25-18-10-7-15(8-11-18)21-20-12-9-14-3-1-2-4-19(14)24(20)26-23-17-6-5-16(13-17)22(21)23/h1-8,10-11,16-17,21-23H,9,12-13H2
InChIKey XLANXVZJNMHEGB-UHFFFAOYSA-N
Molecular Weight 376.945 g/mol
SMILES C12=C(C(c3ccc(cc3)Cl)C3C(S1)C1C=CC3C1)CCc1c2cccc1
SPLASH splash10-01ot-0809000000-bb3f004029c1d1945842
Source of Spectrum J-44-4154-0
Synonyms 14-(4-chlorophenyl)-3-thiapentacyclo[14.2.1.0(2,15).0(4,13).0(5,10)]nonadeca-4(13),5,7,9,17-pentaene
Wiley ID 1357984