| SpectraBase Spectrum ID |
7DNYAyiMRaC |
| Name |
(3as,4ar,7R,8ar)-7-(Benzo[D][1,3]dioxol-5-yl)-2-oxo-4,4A,6,7-tetrahydro-3ah-[1,3]dioxolo[4,5-F]indole-5(8ah)-carbonyl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.050964869 u |
| Formula |
C17H14ClNO6 |
| InChI |
InChI=1S/C17H14ClNO6/c18-16(20)19-6-10(8-1-2-12-13(3-8)23-7-22-12)9-4-14-15(5-11(9)19)25-17(21)24-14/h1-4,10-11,14-15H,5-7H2/t10-,11-,14-,15+/m1/s1 |
| InChIKey |
JJSAEJQGLQJMAU-FKGLVLAHSA-N |
| Molecular Weight |
363.753 g/mol |
| SMILES |
C1[C@@]2(C(=C[C@]3(OC(O[C@@]13[H])=O)[H])[C@@](C1=CC3=C(C=C1)OCO3)(CN2C(Cl)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946591 |
![(3as,4ar,7R,8ar)-7-(Benzo[D][1,3]dioxol-5-yl)-2-oxo-4,4A,6,7-tetrahydro-3ah-[1,3]dioxolo[4,5-F]indole-5(8ah)-carbonyl chloride](/api/spectrum/7DNYAyiMRaC/structure.png?h=300&w=458 "(3as,4ar,7R,8ar)-7-(Benzo[D][1,3]dioxol-5-yl)-2-oxo-4,4A,6,7-tetrahydro-3ah-[1,3]dioxolo[4,5-F]indole-5(8ah)-carbonyl chloride")
