| SpectraBase Spectrum ID |
mPSApq353F |
| Name |
1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-4-(2-methylpropyl)-7-phenyl-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-(.+-.)- |
| CAS Registry Number |
81757-60-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O3 |
| InChI |
InChI=1S/C18H20O3/c1-11(2)10-13-8-9-14(12-6-4-3-5-7-12)16-15(13)17(19)21-18(16)20/h3-9,11,13-16H,10H2,1-2H3/t13-,14+,15+,16-/m1/s1 |
| InChIKey |
LPUQSKVESKLNTM-FXUDXRNXSA-N |
| Molecular Weight |
284.355 g/mol |
| SMILES |
C1(OC(=O)[C@@]2([C@]1([C@@](C=C[C@@]2(CC(C)C)[H])(c1ccccc1)[H])[H])[H])=O |
| SPLASH |
splash10-054x-1900000000-0f6daa38aa9dd368d232 |
| Source of Spectrum |
B-35-579-0 |
| Synonyms |
(3aS,4S,7R,7aR)-4-isobutyl-7-phenyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
4-Isobutyl-7-phenyl-4,7-dihydroisobenzofuran-1,3(7aH,3aH)-dione |
| Wiley ID |
1288240 |
