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(+)-(3R)-2-[(4'-Nitrobenzylazo)methylene]-1,3-dimethyl-3-propylindoline
SpectraBase Compound ID 7ZCItvurePo
InChI InChI=1S/C20H22N4O2/c1-4-13-20(2)17-7-5-6-8-18(17)23(3)19(20)14-21-22-15-9-11-16(12-10-15)24(25)26/h5-12,14H,4,13H2,1-3H3/b19-14+,22-21+/t20-/m1/s1
InChIKey NRYRDKHKIGYHOB-QUEYPYNBSA-N
Mol Weight 350.42 g/mol
Molecular Formula C20H22N4O2
Exact Mass 350.174276 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93Oy04v4EDk
Name (+)-(3R)-2-[(4'-Nitrobenzylazo)methylene]-1,3-dimethyl-3-propylindoline
Alternate Name(s) (2E,3R)-1,3-dimethyl-2-{[(E)-(4-nitrophenyl)diazenyl]methylene}-3-propyl-2,3-dihydro-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N4O2
InChI InChI=1S/C20H22N4O2/c1-4-13-20(2)17-7-5-6-8-18(17)23(3)19(20)14-21-22-15-9-11-16(12-10-15)24(25)26/h5-12,14H,4,13H2,1-3H3/b19-14+,22-21+/t20-/m1/s1
InChIKey NRYRDKHKIGYHOB-QUEYPYNBSA-N
Molecular Weight 350.422 g/mol
SMILES c12N(\C([C@@](c1cccc2)(CCC)C)=C/N=N/c1ccc(N(=O)=O)cc1)C
SPLASH splash10-0pi9-0904000000-cb6fe70954a2cc02b449
Source of Spectrum QC-8-1533-3
Wiley ID 869991