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Hydrazinecarboxamide, 2-[2-[1-(1,5-dimethylhexyl)-2,3,3a,4,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethylidene]-, [1R-[1.alpha.(R*),3a.beta.,4.beta.,7a.alpha.]]-
SpectraBase Compound ID 2l7KWv5DPrA
InChI InChI=1S/C21H37N3O/c1-15(2)7-5-8-16(3)18-10-11-19-17(9-6-13-21(18,19)4)12-14-23-24-20(22)25/h6,9,14-19H,5,7-8,10-13H2,1-4H3,(H3,22,24,25)/b23-14+/t16?,17-,18+,19-,21+/m0/s1
InChIKey KMSDPTADQLMFOV-QLMKSGOSSA-N
Mol Weight 347.5 g/mol
Molecular Formula C21H37N3O
Exact Mass 347.293663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gl69JrbVsy2
Name Hydrazinecarboxamide, 2-[2-[1-(1,5-dimethylhexyl)-2,3,3a,4,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethylidene]-, [1R-[1.alpha.(R*),3a.beta.,4.beta.,7a.alpha.]]-
CAS Registry Number 117477-63-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H37N3O
InChI InChI=1S/C21H37N3O/c1-15(2)7-5-8-16(3)18-10-11-19-17(9-6-13-21(18,19)4)12-14-23-24-20(22)25/h6,9,14-19H,5,7-8,10-13H2,1-4H3,(H3,22,24,25)/b23-14+/t16?,17-,18+,19-,21+/m0/s1
InChIKey KMSDPTADQLMFOV-QLMKSGOSSA-N
Molecular Weight 347.547 g/mol
SMILES N(C(=O)N)\N=C\C[C@]1([C@]2([C@@]([C@](CC2)(C(CCCC(C)C)C)[H])(CC=C1)C)[H])[H]
SPLASH splash10-0udi-0901000000-146cc2de98647fe91239
Source of Spectrum I-66-1216-14
Synonyms (1E)-{(1R,3aS,4R,7aR)-1-[(1S)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl}ethanal semicarbazone [(1R,4R,7aR)-1-(1S,5-dimethylhexyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1h inden-4-yl semicarbazone [(1R,4R,7aR)-1-(1S,5-Dimethylhexyl)-7a-methyl-2,3,3a,4,7,7a-hexahydro-1h-inden-4-yl semicarbazone
Wiley ID 1340110