| SpectraBase Spectrum ID |
Ev5e9WoDy1j |
| Name |
1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-4A,7-dimethyl-, [1R-(1.alpha.,4A.beta.,4B.alpha.,7.beta.,10A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.208930140 u |
| Formula |
C19H28O2 |
| InChI |
InChI=1S/C19H28O2/c1-4-18(2)11-9-15-13(12-18)7-8-16-14(17(20)21)6-5-10-19(15,16)3/h4,12,14-16H,1,5-11H2,2-3H3,(H,20,21) |
| InChIKey |
YRNUQSXVUCCZKS-UHFFFAOYSA-N |
| SMILES |
C1CCC2(C(C1C(O)=O)CCC=1C2CCC(C1)(C)C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951191 |
![1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-4a,7-dimethyl-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-](/api/spectrum/Ev5e9WoDy1j/structure.png?h=300&w=458 "1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-4a,7-dimethyl-, [1R-(1.alpha.,4a.beta.,4b.alpha.,7.beta.,10a.alpha.)]-")
