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(5R,6R)-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-3-thiophen-2-yl-cyclohex-2-en-1-one
SpectraBase Compound ID BZ6pbDnWmdj
InChI InChI=1S/C17H13N5O3S/c23-14-10-12(15-7-4-8-26-15)9-13(11-5-2-1-3-6-11)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1
InChIKey RRNWTPYCEVWZSQ-CZUORRHYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C17H13N5O3S
Exact Mass 367.07391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDpNydVo7uG
Name (5R,6R)-6-(5-nitro-1,2,3,4-tetrazol-2-yl)-5-phenyl-3-thiophen-2-yl-cyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N5O3S
InChI InChI=1S/C17H13N5O3S/c23-14-10-12(15-7-4-8-26-15)9-13(11-5-2-1-3-6-11)16(14)21-19-17(18-20-21)22(24)25/h1-8,10,13,16H,9H2/t13-,16-/m1/s1
InChIKey RRNWTPYCEVWZSQ-CZUORRHYSA-N
Molecular Weight 367.383 g/mol
SMILES c1ccc([C@@]2([C@@]([n]3nc(N(=O)=O)nn3)(C(C=C(C2)c2sccc2)=O)[H])[H])cc1
SPLASH splash10-0udi-4910000000-1db8d9e95ccb146101c0
Synonyms (5R,6R)-6-(5-nitro-2-tetrazolyl)-5-phenyl-3-thiophen-2-yl-1-cyclohex-2-enone (5R,6R)-6-(5-nitrotetrazol-2-yl)-5-phenyl-3-(2-thienyl)cyclohex-2-en-1-one (5R,6R)-6-(5-nitrotetrazol-2-yl)-5-phenyl-3-thiophen-2-ylcyclohex-2-en-1-one
Wiley ID 1451629