| SpectraBase Spectrum ID |
JDWNS5HmzrD |
| Name |
1,2,4A,4B,5,6,7,8,10,10A-Decahydro-1,2-dioxo-4A-phenanthrenecarboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.120509056 u |
| Formula |
C16H18O4 |
| InChI |
InChI=1S/C16H18O4/c1-20-15(19)16-9-8-13(17)14(18)12(16)7-6-10-4-2-3-5-11(10)16/h6,8-9,11-12H,2-5,7H2,1H3/t11-,12-,16+/m1/s1 |
| InChIKey |
KGCDLGMLEHZSIA-HSMVNMDESA-N |
| SMILES |
C12=CC[C@@]3(C(=O)C(C=C[C@@]3([C@@]1(CCCC2)[H])C(=O)OC)=O)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.973172 |
