SpectraBase Spectrum ID |
66u97I9yJHO |
Name |
1-Isopropyl-2-(4-methoxybenzoyl)-aziridine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.125928789 u |
Formula |
C13H17NO2 |
InChI |
InChI=1S/C13H17NO2/c1-9(2)14-8-12(14)13(15)10-4-6-11(16-3)7-5-10/h4-7,9,12H,8H2,1-3H3 |
InChIKey |
GYIZSLKWTBOTIQ-UHFFFAOYSA-N |
Molecular Weight |
219.284 g/mol |
SMILES |
C(=O)(C1CN1C(C)C)C1=CC=C(C=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970153 |