| SpectraBase Spectrum ID |
GAMPb8zcQyl |
| Name |
(4Z)-7-(10,11,14,15,15A,16-Hexahydro-9ah-trans-benzo[C]cycloocta[3,4]pyrazolo[1,2-A]-quinolin-16-yl)-4-heptenal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.251463657 u |
| Formula |
C28H32N2O |
| InChI |
InChI=1S/C28H32N2O/c31-21-13-5-1-2-7-17-27-24-16-6-3-4-8-18-28(24)30-26-20-12-10-15-23(26)22-14-9-11-19-25(22)29(27)30/h1-4,9-12,14-15,19-21,24,27-28H,5-8,13,16-18H2/b2-1-,4-3-/t24-,27?,28+/m0/s1 |
| InChIKey |
JTYSEMGMBZQOFJ-PMIFFCGMSA-N |
| Molecular Weight |
412.577 g/mol |
| SMILES |
C1\C=C/CC[C@@]2([H])N3C=4C=CC=CC4C=4C=CC=CC4N3C(CC\C=C/CCC=O)[C@]2([H])C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842205 |
![(4Z)-7-(10,11,14,15,15a,16-Hexahydro-9aH-trans-benzo[c]cycloocta[3,4]pyrazolo[1,2-a]-quinolin-16-yl)-4-heptenal](/api/spectrum/GAMPb8zcQyl/structure.png?h=300&w=458 "(4Z)-7-(10,11,14,15,15a,16-Hexahydro-9aH-trans-benzo[c]cycloocta[3,4]pyrazolo[1,2-a]-quinolin-16-yl)-4-heptenal")
