| SpectraBase Spectrum ID |
85YD9u1BW8Y |
| Name |
Ethanone, 1-[4-(acetyloxy)-2,3,3A,4,5,6-hexahydro-9-methoxy-3A-methyl-1H-phenalen-1-yl]-, [3ar-(3A.alpha.,4.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.167459249 u |
| Formula |
C19H24O4 |
| InChI |
InChI=1S/C19H24O4/c1-11(20)14-9-10-19(3)16(23-12(2)21)8-6-13-5-7-15(22-4)17(14)18(13)19/h5,7,14,16H,6,8-10H2,1-4H3/t14?,16-,19+/m1/s1 |
| InChIKey |
NJBSQEBSDLFNPD-NBMIWUGMSA-N |
| Molecular Weight |
316.397 g/mol |
| SMILES |
C1=2[C@@]3([C@](OC(=O)C)(CCC2C=CC(=C1C(CC3)C(=O)C)OC)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857409 |
![Ethanone, 1-[4-(acetyloxy)-2,3,3a,4,5,6-hexahydro-9-methoxy-3a-methyl-1H-phenalen-1-yl]-, [3aR-(3a.alpha.,4.alpha.)]-](/api/spectrum/85YD9u1BW8Y/structure.png?h=300&w=458 "Ethanone, 1-[4-(acetyloxy)-2,3,3a,4,5,6-hexahydro-9-methoxy-3a-methyl-1H-phenalen-1-yl]-, [3aR-(3a.alpha.,4.alpha.)]-")
