| SpectraBase Spectrum ID |
K34K31T9yF0 |
| Name |
rac-(3R,3aR,4R,7S,7aS)-3-acetoxyhexahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O4 |
| InChI |
InChI=1S/C11H14O4/c1-5(12)14-11-9-7-3-2-6(4-7)8(9)10(13)15-11/h6-9,11H,2-4H2,1H3/t6-,7+,8-,9+,11+/m0/s1 |
| InChIKey |
RROJLUDYQLRICV-KSFAHDSMSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
210.229 g/mol |
| SMILES |
C1[C@@]2([C@]3([C@@]([C@](C1)(C2)[H])([C@@](OC3=O)(OC(=O)C)[H])[H])[H])[H] |
| SPLASH |
splash10-00kf-9200000000-e2d20c7780bbcfcea012 |
| Source of Spectrum |
CBD-16-SM5-10 |
| Synonyms |
rac-(1R,3aS,4S,7R,7aR)-3-oxooctahydro-4,7-methano-2-benzofuran-1-yl acetate |
| Thin-Layer Chromatography |
Rf = 0.64 (hexane/EtOAc, 2:1) |
| Wiley ID |
1835397 |
