| SpectraBase Spectrum ID |
ABvzNL3iR2n |
| Name |
(3S,3as,3bs,6ar,7as)-3-(2-Methoxyethoxymethoxy)-3A,5,5-trimethyl-2,3,3B,4,6,6A,7,7A-octahydro-1H-cyclopenta[A]pentalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.235144887 u |
| Formula |
C18H32O3 |
| InChI |
InChI=1S/C18H32O3/c1-17(2)10-13-9-14-5-6-16(18(14,3)15(13)11-17)21-12-20-8-7-19-4/h13-16H,5-12H2,1-4H3/t13-,14+,15+,16+,18+/m1/s1 |
| InChIKey |
QOTQCCVKTHQAOB-IMPIEMTGSA-N |
| SMILES |
[C@]12([C@](C[C@@]3(CC(C[C@]23[H])(C)C)[H])(CC[C@@]1(OCOCCOC)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935624 |
![(3S,3aS,3bS,6aR,7aS)-3-(2-methoxyethoxymethoxy)-3a,5,5-trimethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene](/api/spectrum/ABvzNL3iR2n/structure.png?h=300&w=458 "(3S,3aS,3bS,6aR,7aS)-3-(2-methoxyethoxymethoxy)-3a,5,5-trimethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene")
