| SpectraBase Spectrum ID |
G4HSrjLOmSn |
| Name |
2-((1R,2R)-2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile |
| Alternate Name(s) |
(3S)-2,2-dimethyl-3-(methylanilino)-3-{(1R,2R)-2-[(1E)-1-propenyl]-2,3-dihydro-1H-inden-1-yl}butanedinitrile
cis-2-(2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile
trans-2-(2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H27N3 |
| InChI |
InChI=1S/C25H27N3/c1-5-11-20-16-19-12-9-10-15-22(19)23(20)25(18-27,24(2,3)17-26)28(4)21-13-7-6-8-14-21/h5-15,20,23H,16H2,1-4H3/b11-5+/t20-,23+,25?/m0/s1 |
| InChIKey |
SWJDOFOAYBHGHH-AMNGTVAUSA-N |
| Molecular Weight |
369.512 g/mol |
| SMILES |
C([C@@]1([C@](Cc2c1cccc2)(\C=C\C)[H])[H])(N(c1ccccc1)C)(C(C#N)(C)C)C#N |
| SPLASH |
splash10-03di-0090000000-3c6c50e0c78365649dc9 |
| Source of Spectrum |
KC-0-885-22 |
| Wiley ID |
783330 |
