2-(1,1-Dioxo-1λ6,4-thiazinan-4-yl)-3-(4-hydroxyphenyl)propanoic acid

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Systematic / IUPAC Name: 2-(1,1-Dioxido-4-thiomorpholinyl)-3-(4-hydroxyphenyl)propanoic acid

ID: Reference6436

Other Names: 4-Thiomorpholineacetic acid, α-[(4-hydroxyphenyl)methyl]-, 1,1-dioxide

Formula: C13H17NO5S

Spectral Data

2-(1,1-Dioxo-1λ6,4-thiazinan-4-yl)-3-(4-hydroxyphenyl)propanoic 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/3/2017 7:45:23 AM
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Identificators

InChI InChI=1S/C13H17NO5S/c15-11-3-1-10(2-4-11)9-12(13(16)17)14-5-7-20(18,19)8-6-14/h1-4,12,15H,5-9H2,(H,16,17)
InChI Key WFLIHTZAPGLCMT-UHFFFAOYSA-N
Canonical SMILES C1CS(=O)(=O)CCN1C(CC2=CC=C(C=C2)O)C(=O)O
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Other Names 4-Thiomorpholineacetic acid, α-[(4-hydroxyphenyl)methyl]-, 1,1-dioxide

In Other Databases

ChemSpider 2084753
PubChem 2806237