| SpectraBase Spectrum ID |
6ZTRC9Or6hR |
| Name |
rac-(3R,3aR,4R,7S,7aS)-3-(propan-2-yloxy)hexahydro-4,7-methano-2-benzofuran-1(3H)-one |
| Alternate Name(s) |
rac-(3R,3aR,4R,7S,7aS)-3-isopropoxyhexahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-6(2)14-12-10-8-4-3-7(5-8)9(10)11(13)15-12/h6-10,12H,3-5H2,1-2H3/t7-,8+,9-,10+,12+/m0/s1 |
| InChIKey |
LEFJYWSNPMIULO-KUNJHIDRSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1[C@@]2([C@]3([C@@]([C@](C1)(C2)[H])([C@@](OC3=O)(OC(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-00r7-9200000000-bb0d850a86818e1fda21 |
| Source of Spectrum |
CBD-16-SM8-17 |
| Thin-Layer Chromatography |
Rf = 0.53 (hexane/EtOAc, 5:1) |
| Wiley ID |
1835403 |
