| SpectraBase Spectrum ID |
IqDr52wI7lC |
| Name |
rac-(3R,3aR,4R,7S,7aS)-3-hydroxyhexahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12O3 |
| InChI |
InChI=1S/C9H12O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h4-8,10H,1-3H2/t4-,5+,6-,7+,8-/m1/s1 |
| InChIKey |
VCFABCYTQYLHAS-RZUNNTJFSA-N |
| Instrument Name |
Shimadzu GC-17A-QP5050A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbdv.201800557 |
| Molecular Weight |
168.192 g/mol |
| SMILES |
O[C@]1([C@]2([C@]([C@]3(CC[C@@]2(C3)[H])[H])(C(O1)=O)[H])[H])[H] |
| SPLASH |
splash10-014r-9000000000-24138b1baef4948d3659 |
| Source of Spectrum |
CBD-16-SM7-14 |
| Synonyms |
rac-(3R,3aR,4R,7S,7aS)-3-hydroxyhexahydro-4,7-methano-2-benzofuran-1(3H)-one |
| Thin-Layer Chromatography |
Rf = 0.56 (hexane/EtOAc, 1:1) |
| Wiley ID |
1835401 |
