| SpectraBase Spectrum ID |
EG3pZcWPWgf |
| Name |
rac-(3R,3aR,4S,7R,7aS)-3-(propan-2-yloxy)-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-6(2)14-12-10-8-4-3-7(5-8)9(10)11(13)15-12/h3-4,6-10,12H,5H2,1-2H3/t7-,8+,9-,10+,12+/m0/s1 |
| InChIKey |
DPEPHKXHIIXNHS-KUNJHIDRSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C=1[C@@]2([C@]3([C@@]([C@](C1)(C2)[H])([C@@](OC3=O)(OC(C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-00kf-9200000000-a6cdc9d3c26deee331c4 |
| Source of Spectrum |
CBD-16-SM8-16 |
| Synonyms |
rac-(3R,3aR,4S,7R,7aS)-3-isopropoxy-3a,4,7,7a,-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Thin-Layer Chromatography |
Rf = 0.51 (hexane/EtOAc, 5:1) |
| Wiley ID |
1835402 |
