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8-BENZYLAMINO-3,4,5,6-TETRAHYDRO-2H-1,3,7-THIADIAZOCINE-2-THIONE

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

8-BENZYLAMINO-3,4,5,6-TETRAHYDRO-2H-1,3,7-THIADIAZOCINE-2-THIONE
SpectraBase Compound ID BhYmI9Deuqf
InChI InChI=1S/C12H15N3S2/c16-12-14-8-4-7-13-11(17-12)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,15)(H,14,16)
InChIKey ZCDURMBHRMIWNH-UHFFFAOYSA-N
Mol Weight 265.39 g/mol
Molecular Formula C12H15N3S2
Exact Mass 265.07074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UXAoaaQ317
Name 8-(Benzylamino)-3,4,5,6-tetrahydro-1,3,7-thiadiazocine-2-thione
Alternate Name(s) 8-[(phenylmethyl)amino]-3,4,5,6-tetrahydro-1,3,7-thiadiazocine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3S2
InChI InChI=1S/C12H15N3S2/c16-12-14-8-4-7-13-11(17-12)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,15)(H,14,16)
InChIKey ZCDURMBHRMIWNH-UHFFFAOYSA-N
Molecular Weight 265.393 g/mol
SMILES N1CCC\N=C\(SC1=S)NCc1ccccc1
SPLASH splash10-054k-4900000000-465373c8d0e5ed381e0d
Source of Spectrum AJ-43-597-10
Wiley ID 1594052