| SpectraBase Spectrum ID |
50ebXL3Fm40 |
| Name |
rac-(3R,3aR,4S,7R,7aS)-3-hydroxy-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-8,10H,3H2/t4-,5+,6-,7+,8-/m1/s1 |
| InChIKey |
QJQKWWRFMPGUIQ-RZUNNTJFSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
166.176 g/mol |
| SMILES |
O[C@]1([C@]2([C@]([C@]3(C=C[C@@]2(C3)[H])[H])(C(O1)=O)[H])[H])[H] |
| SPLASH |
splash10-014i-9000000000-ccf3bbbc58d4df5cd756 |
| Source of Spectrum |
CBD-16-SM6-13 |
| Synonyms |
rac-(3R,3aR,4S,7R,7aS)-3-hydroxy-3a,4,7,7a-tetrahydro-4,7-methano-2-benzofuran-1(3H)-one |
| Thin-Layer Chromatography |
Rf = 0.32 (hexane/EtOAc, 3:1) |
| Wiley ID |
1835400 |
