| SpectraBase Spectrum ID |
DzBtjWRCjOD |
| Name |
.Delta.3,.delta.5-2-methyl-4 acetylhexahydro-cis-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
191.131014170 u |
| Formula |
C12H17NO |
| InChI |
InChI=1S/C12H17NO/c1-9(14)12-8-13(2)7-10-5-3-4-6-11(10)12/h4,6,8,10-11H,3,5,7H2,1-2H3/t10-,11-/m1/s1 |
| InChIKey |
WBRQQJWRYZTEGY-GHMZBOCLSA-N |
| Molecular Weight |
191.274 g/mol |
| SMILES |
C=1([C@]2([C@@](CCC=C2)([H])CN(C1)C)[H])C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873966 |
