| SpectraBase Spectrum ID |
I5d6ZidmCAx |
| Name |
(+-)-trans-6A,12A-dihydrorotoxen-12(6H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.078644243 u |
| Formula |
C16H12O3 |
| InChI |
InChI=1S/C16H12O3/c17-16-11-6-2-4-8-13(11)19-14-9-18-12-7-3-1-5-10(12)15(14)16/h1-8,14-15H,9H2/t14-,15-/m1/s1 |
| InChIKey |
YMAFBYZMZOUTKO-HUUCEWRRSA-N |
| Molecular Weight |
252.269 g/mol |
| SMILES |
C1([C@]2([C@](COC3=C2C=CC=C3)([H])OC2=C1C=CC=C2)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937456 |
