| SpectraBase Spectrum ID |
BNn8NxU6z3z |
| Name |
(1R*,11S*,12R*,16S*)-1-(Methoxycarbonyl)-12-propyl-18-oxatricyclo[9.5.1.1(12,16)]octadecan-17-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-3-14-21-15-11-13-18(26-21)22(20(24)25-2)16-10-8-6-4-5-7-9-12-17(21)19(22)23/h17-18H,3-16H2,1-2H3/t17-,18+,21-,22-/m1/s1 |
| InChIKey |
YXGPBHBDONXGKZ-GMQQQROESA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
[C@]12(C([C@@](CCCCCCCCC2)([C@@]2(O[C@]1(CCC2)[H])CCC)[H])=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825714 |
![(1R*,11S*,12R*,16S*)-1-(Methoxycarbonyl)-12-propyl-18-oxatricyclo[9.5.1.1(12,16)]octadecan-17-one](/api/spectrum/BNn8NxU6z3z/structure.png?h=300&w=458 "(1R*,11S*,12R*,16S*)-1-(Methoxycarbonyl)-12-propyl-18-oxatricyclo[9.5.1.1(12,16)]octadecan-17-one")
