2-Phenyl-1,2,4-triazaspiro[4.4]non-3-ene-3-thiol

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Systematic / IUPAC Name: 2-Phenyl-1,2,4-triazaspiro[4.4]nonane-3-thione

ID: Reference7068

Other Names: 1,2,4-3-Triazoline-3-thiol, 2-phenyl-5-spiro-cyclopentane-;
1,2,4-Triazaspiro[4.4]nonane-3-thione, 2-phenyl-

Formula: C12H15N3S

Spectral Data

2-Phenyl-1,2,4-triazaspiro[4.4]non-3-ene-3-thiol 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 237
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/22/2017 2:29:01 PM
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Identificators

InChI InChI=1S/C12H15N3S/c16-11-13-12(8-4-5-9-12)14-15(11)10-6-2-1-3-7-10/h1-3,6-7,14H,4-5,8-9H2,(H,13,16)
InChI Key YOVKZKLGVGKTHH-UHFFFAOYSA-N
Canonical SMILES C1CCC2(C1)NC(=S)N(N2)C3=CC=CC=C3
CAS
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Other Names 1,2,4-3-Triazoline-3-thiol, 2-phenyl-5-spiro-cyclopentane-;
1,2,4-Triazaspiro[4.4]nonane-3-thione, 2-phenyl-

In Other Databases

PubChem 689492
ChemSpider 600799