2-({2-[(1-Adamantylamino)sulfonyl]phenyl}thio)benzoic acid

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Systematic / IUPAC Name: 2-{[2-(Adamantan-1-ylsulfamoyl)phenyl]sulfanyl}benzoic acid

ID: Reference3928

Other Names: Benzoic acid, 2-({2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)sulfonyl]phenyl}thio)-

Formula: C23H25NO4S2

Spectral Data

2-({2-[(1-Adamantylamino)sulfonyl]phenyl}thio)benzoic acid 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 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/18/2016 2:20:42 PM
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Identificators

InChI InChI=1S/C23H25NO4S2/c25-22(26)18-5-1-2-6-19(18)29-20-7-3-4-8-21(20)30(27,28)24-23-12-15-9-16(13-23)11-17(10-15)14-23/h1-8,15-17,24H,9-14H2,(H,25,26)
InChI Key IEUWYSKTODWTNP-UHFFFAOYSA-N
Canonical SMILES C1C2CC3CC1CC(C2)(C3)NS(=O)(=O)C4=CC=CC=C4SC5=CC=CC=C5C(=O)O
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Other Names Benzoic acid, 2-({2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)sulfonyl]phenyl}thio)-

In Other Databases

ChemSpider 2095979
PubChem 2817688