| SpectraBase Spectrum ID |
4YVg37WUmXB |
| Name |
1-Allyl-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 |
269.214349873 u |
| Formula |
C19H27N |
| InChI |
InChI=1S/C19H27N/c1-3-9-18-17-11-6-5-10-16(17)15(2)14-19(20-18)12-7-4-8-13-19/h3,5-6,10-11,15,18,20H,1,4,7-9,12-14H2,2H3 |
| InChIKey |
LCWZVGJDOHNPOT-UHFFFAOYSA-N |
| Molecular Weight |
269.432 g/mol |
| SMILES |
C1=CC2=C(C=C1)C(NC1(CC2C)CCCCC1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893692 |
![1-Allyl-5-methyl-1,2,4,5-tetrahydrospiro[benzo[C]azepine-3,1'-cyclohexane]](/api/spectrum/4YVg37WUmXB/structure.png?h=300&w=458 "1-Allyl-5-methyl-1,2,4,5-tetrahydrospiro[benzo[C]azepine-3,1'-cyclohexane]")
