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3A-METHYL-1-PHENYL-3A,4,5,6-TETRAHYDRO-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZODIAZEPINE
SpectraBase Compound ID IxaUblOVyGw
InChI InChI=1S/C17H17N3O/c1-17-11-12-18-14-9-5-6-10-15(14)20(17)16(19-21-17)13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3/t17-/m0/s1
InChIKey QKNSRPIKNHUZPE-KRWDZBQOSA-N
Mol Weight 279.34 g/mol
Molecular Formula C17H17N3O
Exact Mass 279.137162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 49GAnNIFcSq
Name 3A-METHYL-1-PHENYL-3A,4,5,6-TETRAHYDRO-[1,2,4]-OXADIAZOLO-[5,4-D]-[1,5]-BENZODIAZEPINE
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17N3O
InChI InChI=1S/C17H17N3O/c1-17-11-12-18-14-9-5-6-10-15(14)20(17)16(19-21-17)13-7-3-2-4-8-13/h2-10,18H,11-12H2,1H3/t17-/m0/s1
InChIKey QKNSRPIKNHUZPE-KRWDZBQOSA-N
Literature Reference Author A.CHIMIRRI,S.GRASSO,R.OTTANA,G.ROMEO,M.ZAPPALA
Literature Reference Citation J.HETCYCL.CHEM.,27,371(1990)
Literature Reference DOI 10.1002/jhet.5570270250
Molecular Weight 279.341 g/mol
Solvent CDCl3
Source File Reference UWCP3426