| SpectraBase Spectrum ID |
KjqBiHB77nM |
| Name |
rac-(3R,3aR,4S,7R,7aS)-3-acetoxy-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-5(12)14-11-9-7-3-2-6(4-7)8(9)10(13)15-11/h2-3,6-9,11H,4H2,1H3/t6-,7+,8-,9+,11+/m0/s1 |
| InChIKey |
LFMNBJHLTYJGQE-KSFAHDSMSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
208.213 g/mol |
| SMILES |
C=1[C@@]2([C@]3([C@@]([C@](C1)(C2)[H])([C@@](OC3=O)(OC(=O)C)[H])[H])[H])[H] |
| SPLASH |
splash10-014l-9000000000-a94a1cda7d7233da557c |
| Source of Spectrum |
CBD-16-SM5-9 |
| Synonyms |
rac-(1R,3aS,4R,7S,7aR)-3-oxo-1,3,3a,4,7,7a-hexahydro-4,7-methano-2-benzofuran-1-yl acetate |
| Thin-Layer Chromatography |
Rf = 0.39 (hexane/EtOAc, 3:1) |
| Wiley ID |
1835413 |
