| SpectraBase Spectrum ID |
BMQjQo1CRxQ |
| Name |
7A-T-Butyl-2,6,6-trimethyl-cis-perhydroisoindol-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.209264492 u |
| Formula |
C15H27NO |
| InChI |
InChI=1S/C15H27NO/c1-13(2,3)15-9-14(4,5)12(17)7-11(15)8-16(6)10-15/h11H,7-10H2,1-6H3/t11-,15-/m1/s1 |
| InChIKey |
HIVPSOPOUPDJPP-IAQYHMDHSA-N |
| Molecular Weight |
237.387 g/mol |
| SMILES |
[C@]12([C@](CC(C(C2)(C)C)=O)(CN(C1)C)[H])C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891351 |
