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9-PHENYLMETHYLAMINO-2,3,4,5,6,7-HEXAHYDRO-1,3,8-THIADIAZONINE-2-THIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

9-PHENYLMETHYLAMINO-2,3,4,5,6,7-HEXAHYDRO-1,3,8-THIADIAZONINE-2-THIONE
SpectraBase Compound ID C3ehREz0m88
InChI InChI=1S/C13H17N3S2/c17-13-15-9-5-4-8-14-12(18-13)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,16)(H,15,17)
InChIKey LTVBTCRFALNVHB-UHFFFAOYSA-N
Mol Weight 279.42 g/mol
Molecular Formula C13H17N3S2
Exact Mass 279.08639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JohhhPDbE9K
Name 9-(benzylamino)-4,5,6,7-tetrahydro-3H-1,3,8-thiadiazonine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N3S2
InChI InChI=1S/C13H17N3S2/c17-13-15-9-5-4-8-14-12(18-13)16-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,16)(H,15,17)
InChIKey LTVBTCRFALNVHB-UHFFFAOYSA-N
Molecular Weight 279.420 g/mol
SMILES N1CCCC\N=C\(SC1=S)NCc1ccccc1
SPLASH splash10-052f-9600000000-fde8757ef9ffd8a96a4e
Source of Spectrum AJ-43-597-11
Synonyms 9-[(phenylmethyl)amino]-4,5,6,7-tetrahydro-3H-1,3,8-thiadiazonine-2-thione
Wiley ID 1594049