| SpectraBase Compound ID | 5J1a3N6vV8w |
|---|---|
| InChI | InChI=1S/C14H24O3/c1-3-9(2)17-14(16)11-7-10-5-4-6-13(15)12(10)8-11/h9-13,15H,3-8H2,1-2H3/t9?,10-,11+,12+,13-/m0/s1 |
| InChIKey | PDCCKJBUVQOXBU-WSNAZYMVSA-N |
| Mol Weight | 240.34 g/mol |
| Molecular Formula | C14H24O3 |
| Exact Mass | 240.172545 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3cYSEOx7RyT |
|---|---|
| Name | (2R,3aR,4S,7aS)-4-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylic acid butan-2-yl ester |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H24O3 |
| InChI | InChI=1S/C14H24O3/c1-3-9(2)17-14(16)11-7-10-5-4-6-13(15)12(10)8-11/h9-13,15H,3-8H2,1-2H3/t9?,10-,11+,12+,13-/m0/s1 |
| InChIKey | PDCCKJBUVQOXBU-WSNAZYMVSA-N |
| Molecular Weight | 240.343 g/mol |
| SMILES | O[C@@]1([C@@]2(C[C@](C(OC(CC)C)=O)(C[C@@]2(CCC1)[H])[H])[H])[H] |
| SPLASH | splash10-00di-0910000000-5f4ee0a5b35945a13bfb |
| Source of Spectrum | E1-42-1758-10 |
| Synonyms | (2R,3aR,4S,7aS)-4-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylic acid sec-butyl ester butan-2-yl (2R,3aR,4S,7aS)-4-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate butan-2-yl (2R,3aR,4S,7aS)-4-oxidanyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate sec-butyl (2R,3aR,4S,7aS)-4-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate |
| Wiley ID | 1552776 |