| SpectraBase Spectrum ID |
AygxGmzr6hM |
| Name |
(1R,2R,1'R)-1-[(1'-Methoxymethylbenzyl)amino]-2-methylcyclopropanecarbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.141913207 u |
| Formula |
C14H18N2O |
| InChI |
InChI=1S/C14H18N2O/c1-11-8-14(11,10-15)16-13(9-17-2)12-6-4-3-5-7-12/h3-7,11,13,16H,8-9H2,1-2H3/t11-,13?,14+/m1/s1 |
| InChIKey |
MKARITNJMUTSBQ-VFXSIBAZSA-N |
| Molecular Weight |
230.311 g/mol |
| SMILES |
[C@@]1(C[C@]1(C)[H])(NC(C=1C=CC=CC1)COC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941848 |
![(1R,2R,1'R)-1-[(1'-methoxymethylbenzyl)amino]-2-methylcyclopropanecarbonitrile](/api/spectrum/AygxGmzr6hM/structure.png?h=300&w=458 "(1R,2R,1'R)-1-[(1'-methoxymethylbenzyl)amino]-2-methylcyclopropanecarbonitrile")
