| SpectraBase Compound ID | 9GsRjpyk4ct |
|---|---|
| InChI | InChI=1S/C21H24N2O4/c1-13(25)27-21(20-9-14-6-8-23(20)11-15(14)12-24)17-5-7-22-19-4-3-16(26-2)10-18(17)19/h3-5,7,10,12,14-15,20-21H,6,8-9,11H2,1-2H3/t14-,15?,20-,21+/m1/s1 |
| InChIKey | GCXVRFPMIOOEEY-GSIWEYPPSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C21H24N2O4 |
| Exact Mass | 368.173607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A72T9UzqRem |
|---|---|
| Name | (3R,8R,9S)-9-Acetoxy-6'-methoxyrubane-3-carbaldehyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24N2O4 |
| InChI | InChI=1S/C21H24N2O4/c1-13(25)27-21(20-9-14-6-8-23(20)11-15(14)12-24)17-5-7-22-19-4-3-16(26-2)10-18(17)19/h3-5,7,10,12,14-15,20-21H,6,8-9,11H2,1-2H3/t14-,15?,20-,21+/m1/s1 |
| InChIKey | GCXVRFPMIOOEEY-GSIWEYPPSA-N |
| Molecular Weight | 368.433 g/mol |
| SMILES | [C@@]1(N2CC([C@@](C1)(CC2)[H])C=O)([C@](c1c2c(ncc1)ccc(c2)OC)(OC(=O)C)[H])[H] |
| SPLASH | splash10-00kr-1938000000-4babdd6fd1cc493ed2de |
| Source of Spectrum | F-54-3509-12 |
| Wiley ID | 806431 |