| SpectraBase Spectrum ID |
HjOlDF7fLYW |
| Name |
(5S*)-2-[3',5'-Dimethyl-2',3',4',5'-tetrahydro-1H-[1]benzazep-1'-yl]-ethanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.146998588 u |
| Formula |
C14H18N2 |
| InChI |
InChI=1S/C14H18N2/c1-11-9-12(2)13-5-3-4-6-14(13)16(10-11)8-7-15/h3-6,11-12H,8-10H2,1-2H3/t11?,12-/m0/s1 |
| InChIKey |
CPUNBZKILQUEEI-KIYNQFGBSA-N |
| Molecular Weight |
214.312 g/mol |
| SMILES |
C1=2N(CC(C[C@@](C2C=CC=C1)(C)[H])C)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834233 |
![(5S*)-2-[3',5'-Dimethyl-2',3',4',5'-tetrahydro-1H-[1]benzazep-1'-yl]-ethanenitrile](/api/spectrum/HjOlDF7fLYW/structure.png?h=300&w=458 "(5S*)-2-[3',5'-Dimethyl-2',3',4',5'-tetrahydro-1H-[1]benzazep-1'-yl]-ethanenitrile")
