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3,3A-TRANS-3-PHENYL-3,3A,4,5-TETRAHYDRO-2-THIOCARBAMOYL-2H-BENZ-[G]-INDAZOLE
SpectraBase Compound ID 4HUaeB2fh93
InChI InChI=1S/C18H17N3S/c19-18(22)21-17(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)16(15)20-21/h1-9,15,17H,10-11H2,(H2,19,22)/t15-,17+/m1/s1
InChIKey XYIXNDFQNMYLLB-WBVHZDCISA-N
Mol Weight 307.42 g/mol
Molecular Formula C18H17N3S
Exact Mass 307.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4feOnvWp7tY
Name 3,3A-TRANS-3-PHENYL-3,3A,4,5-TETRAHYDRO-2-THIOCARBAMOYL-2H-BENZ-[G]-INDAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17N3S
InChI InChI=1S/C18H17N3S/c19-18(22)21-17(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)16(15)20-21/h1-9,15,17H,10-11H2,(H2,19,22)/t15-,17+/m1/s1
InChIKey XYIXNDFQNMYLLB-WBVHZDCISA-N
Literature Reference Author T.LORAND,F.ARADI,A.SZOELLOESY,G.TOTH,T.KONYA
Literature Reference Citation MH.CHEM.,127,971(1996)
Literature Reference DOI 10.1007/BF00807038
Molecular Weight 307.413 g/mol
Solvent CDCl3
Source File Reference UWMZ99