| SpectraBase Spectrum ID |
JrGOt0ZkWMD |
| Name |
5-Methyl-1,2,4,5-tetrahydrospiro[benzo[C]azepine-3,1'-cyclohexane] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.183049745 u |
| Formula |
C16H23N |
| InChI |
InChI=1S/C16H23N/c1-13-11-16(9-5-2-6-10-16)17-12-14-7-3-4-8-15(13)14/h3-4,7-8,13,17H,2,5-6,9-12H2,1H3 |
| InChIKey |
LRJMQASJCMVYKC-UHFFFAOYSA-N |
| Molecular Weight |
229.367 g/mol |
| SMILES |
C1=CC2=C(C=C1)C(C)CC1(NC2)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820165 |
![5-Methyl-1,2,4,5-tetrahydrospiro[benzo[C]azepine-3,1'-cyclohexane]](/api/spectrum/JrGOt0ZkWMD/structure.png?h=300&w=458 "5-Methyl-1,2,4,5-tetrahydrospiro[benzo[C]azepine-3,1'-cyclohexane]")
