| SpectraBase Spectrum ID |
D4U1FpUe90b |
| Name |
3aH-Indene-3a-carboxylic acid, octahydro-5-oxo-, methyl ester, trans-(.+-.)- |
| Alternate Name(s) |
Methyl (3a.alpha.,7a.beta.)-5-oxo-hexahydroindane-3a-carboxylate
methyl (3aR,7aS)-5-oxooctahydro-3aH-indene-3a-carboxylate |
| CAS Registry Number |
120966-98-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H16O3 |
| InChI |
InChI=1S/C11H16O3/c1-14-10(13)11-6-2-3-8(11)4-5-9(12)7-11/h8H,2-7H2,1H3/t8-,11+/m0/s1 |
| InChIKey |
KBDJKNCRYCQDNF-GZMMTYOYSA-N |
| Molecular Weight |
196.246 g/mol |
| SMILES |
[C@@]12(C(=O)OC)CC(=O)CC[C@@]2(CCC1)[H] |
| SPLASH |
splash10-0a4i-0900000000-f4ec98fc848a8aa18738 |
| Source of Spectrum |
K-122-1973-2 |
| Wiley ID |
1193190 |
