| SpectraBase Spectrum ID |
2IJ92uoHUs1 |
| Name |
(2R,4R)-4-(Dimethylamino)-2-isopropyl-2-phenyl-valeronitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.193948781 u |
| Formula |
C16H24N2 |
| InChI |
InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3/t14-,16-/m1/s1 |
| InChIKey |
WFLSCFISQHLEED-GDBMZVCRSA-N |
| Molecular Weight |
244.382 g/mol |
| SMILES |
C([C@@](C[C@@](C)(N(C)C)[H])(C=1C=CC=CC1)C(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940498 |
