| SpectraBase Spectrum ID |
KQhCvD1W84W |
| Name |
2'-Methyl-2',3'-dihydro-1'H-spiro[cycloheptane-1,4'-isoquinolin]-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.162314299 u |
| Formula |
C16H21NO |
| InChI |
InChI=1S/C16H21NO/c1-17-11-13-7-4-5-8-14(13)16(12-17)10-6-2-3-9-15(16)18/h4-5,7-8H,2-3,6,9-12H2,1H3 |
| InChIKey |
VECTYBJSQPERDK-UHFFFAOYSA-N |
| Molecular Weight |
243.350 g/mol |
| SMILES |
C1C2(C(CCCC1)=O)C=1C=CC=CC1CN(C2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928019 |
![2'-methyl-2',3'-dihydro-1'H-spiro[cycloheptane-1,4'-isoquinolin]-2-one](/api/spectrum/KQhCvD1W84W/structure.png?h=300&w=458 "2'-methyl-2',3'-dihydro-1'H-spiro[cycloheptane-1,4'-isoquinolin]-2-one")
