| SpectraBase Compound ID | DdAj21STfYb |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-8-5-6-9-3-2-4-10(7-11(14)15)12(9)13(8)16/h8-10,12H,2-7H2,1H3,(H,14,15)/t8-,9-,10+,12-/m1/s1 |
| InChIKey | IPFPAHJRJNWRFK-MWGHHZFTSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8LKNfBxXJRK |
|---|---|
| Name | (2'RS,4a'RS,8'SR,8a'SR)-2-(2'-Methyl-1'-oxodecahydronaphthalen-8'-yl)acetic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-8-5-6-9-3-2-4-10(7-11(14)15)12(9)13(8)16/h8-10,12H,2-7H2,1H3,(H,14,15)/t8-,9-,10+,12-/m1/s1 |
| InChIKey | IPFPAHJRJNWRFK-MWGHHZFTSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | OC(C[C@]1([C@@]2(C(=O)[C@@](CC[C@]2(CCC1)[H])(C)[H])[H])[H])=O |
| SPLASH | splash10-0axu-9750000000-2e7b9c9bb27d51430bce |
| Source of Spectrum | J-59-4747-20 |
| Synonyms | ((1S,4aR,7R,8aR)-7-Methyl-8-oxo-decahydro-naphthalen-1-yl)-acetic acid (7-methyl-8-oxodecahydro-1-naphthalenyl)acetic acid 2-[(1S,4aR,7R,8aR)-7-methyl-8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-1-yl]acetic acid 2-[(1S,4aR,7R,8aR)-7-methyl-8-oxo-decalin-1-yl]acetic acid 2-[(1S,4aR,7R,8aR)-7-methyl-8-oxidanylidene-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalen-1-yl]ethanoic acid |
| Wiley ID | 1225380 |