1-Acetyl-6,6-dimethyl-3-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one

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Systematic / IUPAC Name: 1-Acetyl-6,6-dimethyl-3-({2-[(4-methylphenyl)sulfonyl]ethyl}sulfanyl)-6,7-dihydro-2-benzothiophen-4(5H)-one

ID: Reference3792

Other Names: Benzo[c]thiophen-4(5H)-one, 1-acetyl-6,7-dihydro-6,6-dimethyl-3-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)-

Formula: C21H24O4S3

Spectral Data

1-Acetyl-6,6-dimethyl-3-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 110
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/11/2016 8:31:26 AM
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Identificators

InChI InChI=1S/C21H24O4S3/c1-13-5-7-15(8-6-13)28(24,25)10-9-26-20-18-16(19(27-20)14(2)22)11-21(3,4)12-17(18)23/h5-8H,9-12H2,1-4H3
InChI Key LTJVUQAJBRPZNT-UHFFFAOYSA-N
Canonical SMILES CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C3C(=C(S2)C(=O)C)CC(CC3=O)(C)C
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Other Names Benzo[c]thiophen-4(5H)-one, 1-acetyl-6,7-dihydro-6,6-dimethyl-3-({2-[(4-methylphenyl)sulfonyl]ethyl}thio)-

In Other Databases

PubChem 2821019
ChemSpider 2099247