| SpectraBase Spectrum ID |
8HiEBiR792A |
| Name |
(3as,5R,11Bs)-5-methyl-3,3A-dihydro-2H-benzo-[G]-furo-[3,2-C]-isochromene-2,6,11-(5H,11BH)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
284.068473481 u |
| Formula |
C16H12O5 |
| InChI |
InChI=1S/C16H12O5/c1-7-12-13(16-10(20-7)6-11(17)21-16)15(19)9-5-3-2-4-8(9)14(12)18/h2-5,7,10,16H,6H2,1H3/t7-,10+,16-/m1/s1 |
| InChIKey |
CLQWEHDPSOGFQR-GHTXELIDSA-N |
| SMILES |
C1(=O)C[C@@]2(O[C@](C)(C=3C(=O)C4=CC=CC=C4C(=O)C3[C@@]2(O1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853847 |
![(3as,5R,11Bs)-5-methyl-3,3A-dihydro-2H-benzo-[G]-furo-[3,2-C]-isochromene-2,6,11-(5H,11BH)-trione](/api/spectrum/8HiEBiR792A/structure.png?h=300&w=458 "(3as,5R,11Bs)-5-methyl-3,3A-dihydro-2H-benzo-[G]-furo-[3,2-C]-isochromene-2,6,11-(5H,11BH)-trione")
