| SpectraBase Spectrum ID |
9bzjOdCxTzf |
| Name |
(1R,4R,6S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-3-oxabicyclo-[4.1.0]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-13(2)19-18-9-16(18)12-23-20(19)14(3)10-22-11-15-5-7-17(21-4)8-6-15/h5-8,14,16,18,20H,9-12H2,1-4H3/t14-,16-,18-,20+/m0/s1 |
| InChIKey |
WMJJYMRCVMNPLK-PFSLXQJOSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C1[C@]2([C@@](C([C@@]([C@](COCC3=CC=C(C=C3)OC)(C)[H])(O1)[H])=C(C)C)(C2)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937469 |
![(1R,4R,6S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-3-oxabicyclo-[4.1.0]heptane](/api/spectrum/9bzjOdCxTzf/structure.png?h=300&w=458 "(1R,4R,6S)-5-Isopropylidene-4-[(S)-2-(4-methoxybenzyloxy)-1-methylethyl]-3-oxabicyclo-[4.1.0]heptane")
