| SpectraBase Spectrum ID |
5HfcggikYmX |
| Name |
Isoquinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.131014170 u |
| Formula |
C13H17NO |
| InChI |
InChI=1S/C13H17NO/c1-10(15)14-8-11-6-4-5-7-12(11)13(2,3)9-14/h4-7H,8-9H2,1-3H3 |
| InChIKey |
DZLKUWXMKWYLGJ-UHFFFAOYSA-N |
| Molecular Weight |
203.285 g/mol |
| SMILES |
C1N(CC2=C(C1(C)C)C=CC=C2)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868929 |
