| SpectraBase Spectrum ID |
I7hXhinSpqi |
| Name |
[1R-(1.beta.,3A.alpha.,4.beta.,7A.beta.)]-octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7A-methyl-1H-indene-1-acetic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.230059506 u |
| Formula |
C19H32O4 |
| InChI |
InChI=1S/C19H32O4/c1-3-21-17(20)13-14-9-10-15-16(7-6-11-19(14,15)2)23-18-8-4-5-12-22-18/h14-16,18H,3-13H2,1-2H3/t14-,15+,16+,18?,19-/m1/s1 |
| InChIKey |
IDXUIFXOFTYJQN-JTEDIOBDSA-N |
| Molecular Weight |
324.461 g/mol |
| SMILES |
[C@]12([C@]([C@@](OC3OCCCC3)(CCC1)[H])(CC[C@@]2(CC(=O)OCC)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963149 |
![[1R-(1.beta.,3a.alpha.,4.beta.,7a.beta.)]-octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-acetic acid ethyl ester](/api/spectrum/I7hXhinSpqi/structure.png?h=300&w=458 "[1R-(1.beta.,3a.alpha.,4.beta.,7a.beta.)]-octahydro-4-[(tetrahydro-2H-pyran-2-yl)oxy]-7a-methyl-1H-indene-1-acetic acid ethyl ester")
