| SpectraBase Spectrum ID |
KmRbFghNvAF |
| Name |
Methyl (1R,3'S)-2,2-dimethyl-1-(2,3-dihydro-3-methoxy-1-oxo-1H-isoindol-2-yl)cyclopropanecarboxcylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.131408092 u |
| Formula |
C16H19NO4 |
| InChI |
InChI=1S/C16H19NO4/c1-15(2)9-16(15,14(19)21-4)17-12(18)10-7-5-6-8-11(10)13(17)20-3/h5-8,13H,9H2,1-4H3/t13-,16-/m0/s1 |
| InChIKey |
MKCAYHLWWAZZAQ-BBRMVZONSA-N |
| SMILES |
[C@@]1(N2C(C=3C=CC=CC3[C@@]2(OC)[H])=O)(C(C)(C)C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907929 |
