| SpectraBase Spectrum ID |
GjX64mrFkZ1 |
| Name |
(1S,2S,4ar,8as)-1-(4-Nitro-phenyl)-6-oxo-1,2,3,4,4A,5,6,8A-octahydro-naphthalene-2-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.115758027 u |
| Formula |
C17H17NO4 |
| InChI |
InChI=1S/C17H17NO4/c19-10-13-2-1-12-9-15(20)7-8-16(12)17(13)11-3-5-14(6-4-11)18(21)22/h3-8,10,12-13,16-17H,1-2,9H2/t12-,13-,16-,17-/m1/s1 |
| InChIKey |
IOCMLUINDQUYQE-BQGCOEIASA-N |
| SMILES |
C=1(N(=O)=O)C=CC([C@]2([C@@]3(C=CC(=O)C[C@]3(CC[C@@]2(C=O)[H])[H])[H])[H])=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884907 |
