5-(4-Phenylbutyl)-1,3,5-triazinane-2-thione

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Systematic / IUPAC Name: 5-(4-Phenylbutyl)-1,3,5-triazinane-2-thione

ID: Reference7147

Other Names: 1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(4-phenylbutyl)-

Formula: C13H19N3S

Spectral Data

5-(4-Phenylbutyl)-1,3,5-triazinane-2-thione 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 12/7/2017 1:10:36 PM
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Identificators

InChI InChI=1S/C13H19N3S/c17-13-14-10-16(11-15-13)9-5-4-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H2,14,15,17)
InChI Key VXBFMPCBGJAGNV-UHFFFAOYSA-N
Canonical SMILES C1NC(=S)NCN1CCCCC2=CC=CC=C2
CAS
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Other Names 1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(4-phenylbutyl)-

In Other Databases

PubChem 2727924
ChemSpider 2009932