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Hexanoic acid, 6-(2-methoxy-4-nitrophenoxy)-, (2,6-dimethylcyclohexylidene)hydrazide, trans-
SpectraBase Compound ID D7zwncmOyk4
InChI InChI=1S/C21H31N3O5/c1-15-8-7-9-16(2)21(15)23-22-20(25)10-5-4-6-13-29-18-12-11-17(24(26)27)14-19(18)28-3/h11-12,14-16H,4-10,13H2,1-3H3,(H,22,25)/t15-,16-/m1/s1
InChIKey IZVBZPGCQUHSAH-HZPDHXFCSA-N
Mol Weight 405.5 g/mol
Molecular Formula C21H31N3O5
Exact Mass 405.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzoMDXrxP2W
Name Hexanoic acid, 6-(2-methoxy-4-nitrophenoxy)-, (2,6-dimethylcyclohexylidene)hydrazide, trans-
CAS Registry Number 101558-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N3O5
InChI InChI=1S/C21H31N3O5/c1-15-8-7-9-16(2)21(15)23-22-20(25)10-5-4-6-13-29-18-12-11-17(24(26)27)14-19(18)28-3/h11-12,14-16H,4-10,13H2,1-3H3,(H,22,25)/t15-,16-/m1/s1
InChIKey IZVBZPGCQUHSAH-HZPDHXFCSA-N
Molecular Weight 405.495 g/mol
SMILES N(N=C1[C@@](CCC[C@]1(C)[H])(C)[H])C(CCCCCOc1ccc(N(=O)=O)cc1OC)=O
SPLASH splash10-0a71-7923300000-38af288af94e16c050df
Source of Spectrum F-41-3801-6
Synonyms N'-[(2R,6R)-2,6-dimethylcyclohexylidene]-6-(2-methoxy-4-nitrophenoxy)hexanohydrazide trans-2,6-dimethylcyclohexanone 6-(2-methoxy-4-nitrophenoxy)hexanoylhydrazone
Wiley ID 1371733