| SpectraBase Spectrum ID |
Jfaj3W9zQp1 |
| Name |
(3aR*,4S*,7R*,7aS*)-7a-Butyl-3a-methyl-3a,4,7,7a-tetra-hydro-4,7-methanoisobenzofuran-1(3H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H20O2 |
| InChI |
InChI=1S/C14H20O2/c1-3-4-7-14-11-6-5-10(8-11)13(14,2)9-16-12(14)15/h5-6,10-11H,3-4,7-9H2,1-2H3/t10-,11+,13-,14-/m1/s1 |
| InChIKey |
PCEHAQAAKZQMNL-ZMJPVWNMSA-N |
| Molecular Weight |
220.312 g/mol |
| SMILES |
[C@@]12([C@]3(C=C[C@@]([C@]1(COC2=O)C)(C3)[H])[H])CCCC |
| SPLASH |
splash10-0aor-5900000000-f476ee8d3e56ac487111 |
| Source of Spectrum |
U1-2012-6643-27 |
| Synonyms |
(3aR,4S,7R,7aS)-7a-butyl-3a-methyl-3a,4,7,7a-tetrahydro-4,7-methanoisobenzofuran-1(3H)-one |
| Wiley ID |
1735632 |
