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exo-10-Phenylbenz[c]-3-thiatetracyclo[10.2.1.0]hexadec-4-ene
SpectraBase Compound ID 2KHU8CSdwqf
InChI InChI=1S/C24H24S/c1-2-7-16(8-3-1)21-20-13-12-15-6-4-5-9-19(15)24(20)25-23-18-11-10-17(14-18)22(21)23/h1-9,17-18,21-23H,10-14H2
InChIKey NYNAEPQHVWWNLS-UHFFFAOYSA-N
Mol Weight 344.52 g/mol
Molecular Formula C24H24S
Exact Mass 344.159872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImgPRKuklGP
Name exo-10-Phenylbenz[c]-3-thiatetracyclo[10.2.1.0]hexadec-4-ene
Alternate Name(s) 14-phenyl-3-thiapentacyclo[14.2.1.0(2,15).0(4,13).0(5,10)]nonadeca-4(13),5,7,9-tetraene
CAS Registry Number 71436-37-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24S
InChI InChI=1S/C24H24S/c1-2-7-16(8-3-1)21-20-13-12-15-6-4-5-9-19(15)24(20)25-23-18-11-10-17(14-18)22(21)23/h1-9,17-18,21-23H,10-14H2
InChIKey NYNAEPQHVWWNLS-UHFFFAOYSA-N
Molecular Weight 344.516 g/mol
SMILES C12=C(C(c3ccccc3)C3C(S1)C1CC3CC1)CCc1c2cccc1
SPLASH splash10-0005-0094000000-dae9e951fe207eefd2cb
Source of Spectrum J-44-4155-0
Wiley ID 1338387