2-({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}sulfanyl)acetic acid

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Systematic / IUPAC Name: ({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}sulfanyl)acetic acid

ID: Reference6469

Other Names: Acetic acid, 2-({2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}thio)-

Formula: C9H13N3O3S

Spectral Data

2-({2-[(1,3-Dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}sulfanyl)acetic 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 3/13/2017 2:15:14 PM
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Identificators

InChI InChI=1S/C9H13N3O3S/c1-6-3-7(12(2)11-6)10-8(13)4-16-5-9(14)15/h3H,4-5H2,1-2H3,(H,10,13)(H,14,15)
InChI Key KGIBFBUKWNIIOG-UHFFFAOYSA-N
Canonical SMILES CC1=NN(C(=C1)NC(=O)CSCC(=O)O)C
CAS
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Other Names Acetic acid, 2-({2-[(1,3-dimethyl-1H-pyrazol-5-yl)amino]-2-oxoethyl}thio)-

In Other Databases

ChemSpider 2090367
PubChem 2811957