| SpectraBase Spectrum ID |
1X6eBgzfoN1 |
| Name |
Methyl ester of [1R-(1.alpha.,3.beta.,3A.beta.,3B.alpha.,6.beta.,6A.alpha.,6B.beta.)]-3-(acetyloxy)decahydro-3A,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.167459249 u |
| Formula |
C16H24O4 |
| InChI |
InChI=1S/C16H24O4/c1-8-5-6-11-13(8)14-10(15(18)19-4)7-12(16(11,14)3)20-9(2)17/h8,10-14H,5-7H2,1-4H3/t8-,10-,11+,12-,13-,14+,16+/m1/s1 |
| InChIKey |
FQEJVOLHMFRSGJ-QGPBMZLHSA-N |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C[C@]2(OC(=O)C)[H])[H])([H])[C@]2([C@@]1(CC[C@]2(C)[H])[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977802 |
![Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-(acetyloxy)decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid](/api/spectrum/1X6eBgzfoN1/structure.png?h=300&w=458 "Methyl ester of [1R-(1.alpha.,3.beta.,3a.beta.,3b.alpha.,6.beta.,6a.alpha.,6b.beta.)]-3-(acetyloxy)decahydro-3a,6-dimethyl-cyclobuta[1,2:3,4]dicyclopentane-1-carboxylic acid")
