| SpectraBase Spectrum ID |
BgjWq8OLCL8 |
| Name |
(1S,3S,6R)-3-(4-Methoxyphenyl)-4,7-dioxabicyclo[4.1.0]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-13-9-4-2-8(3-5-9)10-6-11-12(15-11)7-14-10/h2-5,10-12H,6-7H2,1H3/t10-,11-,12+/m0/s1 |
| InChIKey |
WPXBCMKAUCEALM-SDDRHHMPSA-N |
| Molecular Weight |
206.241 g/mol |
| SMILES |
[C@]12(O[C@@]1(CO[C@@](C2)(C1=CC=C(C=C1)OC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977597 |
![(1S,3S,6R)-3-(4-methoxyphenyl)-4,7-dioxabicyclo[4.1.0]heptane](/api/spectrum/BgjWq8OLCL8/structure.png?h=300&w=458 "(1S,3S,6R)-3-(4-methoxyphenyl)-4,7-dioxabicyclo[4.1.0]heptane")
