| SpectraBase Spectrum ID |
QBO4UhcljA |
| Name |
4-Isobenzofurancarboxamide, octahydro-1,5-dimethyl-3-oxo-N-phenyl-, (1.alpha.,3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1S,3aR,4S,5S,7aR)-1,5-dimethyl-3-oxo-N-phenyloctahydro-2-benzofuran-4-carboxamide
(2RS,6RS,7SR,8SR,9SR)-3,6-dimethyl-7-(n-phenylamido)hexahydrophthalide |
| CAS Registry Number |
128596-08-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-10-8-9-13-11(2)21-17(20)15(13)14(10)16(19)18-12-6-4-3-5-7-12/h3-7,10-11,13-15H,8-9H2,1-2H3,(H,18,19)/t10-,11-,13-,14-,15+/m0/s1 |
| InChIKey |
YTHSPKLRHLOQRS-IXDBCEGASA-N |
| Molecular Weight |
287.359 g/mol |
| SMILES |
N(C([C@@]1([C@@]2(C(O[C@@](C)([C@@]2(CC[C@@]1(C)[H])[H])[H])=O)[H])[H])=O)c1ccccc1 |
| SPLASH |
splash10-0006-9020000000-d6eb6c1a0940e4800e8e |
| Source of Spectrum |
KC-1989-2028-17 |
| Wiley ID |
1290922 |
