1,5-Dimethyl-2-phenyl-4-(1,4-thiazinan-4-ylmethyl)-2,3-dihydro-1H-pyrazol-3-one

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Systematic / IUPAC Name: 1,5-Dimethyl-2-phenyl-4-(4-thiomorpholinylmethyl)-1,2-dihydro-3H-pyrazol-3-one

ID: Reference4071

Other Names: 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-(4-thiomorpholinylmethyl)-

Formula: C16H21N3OS

Spectral Data

1,5-Dimethyl-2-phenyl-4-(1,4-thiazinan-4-ylmethyl)-2,3-dihydro-1H-pyrazol-3-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 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/7/2016 8:17:28 AM
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Identificators

InChI InChI=1S/C16H21N3OS/c1-13-15(12-18-8-10-21-11-9-18)16(20)19(17(13)2)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChI Key QZFZXGCUOYQPFG-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCSCC3
CAS
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Other Names 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-(4-thiomorpholinylmethyl)-

In Other Databases

ChemSpider 2097015
PubChem 2818770