| SpectraBase Spectrum ID |
A9Yn4XFpTc2 |
| Name |
(1S,2S,3R,4R)-4-(Benzyloxymethyl)-1-(4-methylpentyl)-hexahydrocyclopenta[C]furan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-16(2)7-6-10-21-19-12-11-18(20(19)15-23-21)14-22-13-17-8-4-3-5-9-17/h3-5,8-9,16,18-21H,6-7,10-15H2,1-2H3/t18-,19-,20+,21-/m0/s1 |
| InChIKey |
GBYADBFHHCBJCY-BURNTYAHSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
[C@]12([C@](CO[C@]2(CCCC(C)C)[H])([C@](COCC=2C=CC=CC2)(CC1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804479 |
![(1S,2S,3R,4R)-4-(Benzyloxymethyl)-1-(4-methylpentyl)-hexahydrocyclopenta[c]furan](/api/spectrum/A9Yn4XFpTc2/structure.png?h=300&w=458 "(1S,2S,3R,4R)-4-(Benzyloxymethyl)-1-(4-methylpentyl)-hexahydrocyclopenta[c]furan")
