| SpectraBase Compound ID | 7YPxsem5AtB |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-15-11(13)7-9-6-8-4-2-3-5-10(8)12(9)14/h2-3,8-10H,4-7H2,1H3/t8-,9?,10+/m1/s1 |
| InChIKey | YQAPHQFRITZEAT-FIBVVXLUSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 498YurBuDZ0 |
|---|---|
| Name | 3a(4H)-Indanacetic acid, 7,7a-dihydro-3-oxo-, methyl ester, trans- |
| CAS Registry Number | 10309-05-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-15-11(13)7-9-6-8-4-2-3-5-10(8)12(9)14/h2-3,8-10H,4-7H2,1H3/t8-,9?,10+/m1/s1 |
| InChIKey | YQAPHQFRITZEAT-FIBVVXLUSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1(C(C[C@@]2([C@@]1(CC=CC2)[H])[H])CC(=O)OC)=O |
| SPLASH | splash10-014i-0900000000-a3afad8aac612e5b4705 |
| Source of Spectrum | KC-1987-761-14 |
| Synonyms | 3aH-Indene-3a-acetic acid, 1,2,3,4,7,7a-hexahydro-3-oxo-, methyl ester, trans- 2-Methoxycarbonylmethyl-3as,7aS-3a,4,7,7a-tetrahydroindan-1-one Methyl[(3aR,7aS)-1-oxo-2,3,3a,4,7,7a-hexahydro-1H-inden-2-yl]acetate trans-7a-methoxycarbonylmethyl-3a,4,7,7a-tetrahydroindan-1-one |
| Wiley ID | 1206917 |