2-{[4-(tert-Butyl)phenyl]thio}but-2-enedioic acid

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Systematic / IUPAC Name: (2E)-2-{[4-(2-Methyl-2-propanyl)phenyl]sulfanyl}-2-butenedioic acid

ID: Reference5028

Other Names: 2-Butenedioic acid, 2-{[4-(1,1-dimethylethyl)phenyl]thio}-, (2E)-

Formula: C14H16O4S

Spectral Data

2-{[4-(tert-Butyl)phenyl]thio}but-2-enedioic 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/22/2016 8:42:17 AM
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Identificators

InChI InChI=1S/C14H16O4S/c1-14(2,3)9-4-6-10(7-5-9)19-11(13(17)18)8-12(15)16/h4-8H,1-3H3,(H,15,16)(H,17,18)/b11-8+
InChI Key GMEMNXSHRFSLPB-DHZHZOJOSA-N
Canonical SMILES CC(C)(C)C1=CC=C(C=C1)SC(=CC(=O)O)C(=O)O
CAS
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Other Names 2-Butenedioic acid, 2-{[4-(1,1-dimethylethyl)phenyl]thio}-, (2E)-

In Other Databases

ChemSpider 4650897
PubChem 5713102