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(3a.alpha.,10a.alpha.)-1,2,3,3a,4,5,10,10a-Octahydrocyclopenta[b][1,5]benzodiazepine

View entire compound with spectra: 1 MS (GC)

(3a.alpha.,10a.alpha.)-1,2,3,3a,4,5,10,10a-Octahydrocyclopenta[b][1,5]benzodiazepine
SpectraBase Compound ID 15r4Vnb4OKy
InChI InChI=1S/C12H16N2/c1-2-6-12-11(5-1)13-8-9-4-3-7-10(9)14-12/h1-2,5-6,9-10,13-14H,3-4,7-8H2/t9-,10-/m1/s1
InChIKey JVUVBPRUTYTTTE-NXEZZACHSA-N
Mol Weight 188.27 g/mol
Molecular Formula C12H16N2
Exact Mass 188.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GFlf07eZBCn
Name (3a.alpha.,10a.alpha.)-1,2,3,3a,4,5,10,10a-Octahydrocyclopenta[b][1,5]benzodiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2
InChI InChI=1S/C12H16N2/c1-2-6-12-11(5-1)13-8-9-4-3-7-10(9)14-12/h1-2,5-6,9-10,13-14H,3-4,7-8H2/t9-,10-/m1/s1
InChIKey JVUVBPRUTYTTTE-NXEZZACHSA-N
Molecular Weight 188.274 g/mol
SMILES N1[C@]2([C@@](CNc3c1cccc3)(CCC2)[H])[H]
SPLASH splash10-014r-0900000000-0e8751226d9fc2c975d0
Source of Spectrum F-51-12390-8
Synonyms (3aR,10aR)-1,2,3,3a,4,9,10,10a-octahydrocyclopenta[b][1,5]benzodiazepine
Wiley ID 794322