| SpectraBase Spectrum ID |
1iq0dJ2KyTg |
| Name |
2-Phenanthrenecarboxaldehyde, 7-acetoxy-2,4B-dimethyl-1,2,3,4,4A,4B,5,5,7,8,10,10A-dodecahydro-1-(1,3-dithian-2-ylidenemethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.194937300 u |
| Formula |
C24H34O3S2 |
| InChI |
InChI=1S/C24H34O3S2/c1-16(26)27-18-7-10-24(3)17(13-18)5-6-19-20(24)8-9-23(2,15-25)21(19)14-22-28-11-4-12-29-22/h5,14-15,18-21H,4,6-13H2,1-3H3 |
| InChIKey |
JTQDVNDOHZDPPD-UHFFFAOYSA-N |
| Molecular Weight |
434.653 g/mol |
| SMILES |
C1CSC(SC1)=CC1C2CC=C3CC(OC(C)=O)CCC3(C2CCC1(C)C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806849 |
