| SpectraBase Spectrum ID |
EW6YNdhFarG |
| Name |
N-para-Tolyl-4,4-dimethyl-5-nitro-3A,4,5,7A-tetrahydro-5,7A-epoxyisoindoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.147392509 u |
| Formula |
C17H20N2O3 |
| InChI |
InChI=1S/C17H20N2O3/c1-12-4-6-13(7-5-12)18-10-14-15(2,3)17(19(20)21)9-8-16(14,11-18)22-17/h4-9,14H,10-11H2,1-3H3 |
| InChIKey |
HPXMJLCVKNITQQ-UHFFFAOYSA-N |
| Molecular Weight |
300.358 g/mol |
| SMILES |
C12(N(=O)=O)C(C3CN(CC3(C=C1)O2)C1=CC=C(C)C=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95012 |
