| SpectraBase Compound ID | nR1ZVro2xe |
|---|---|
| InChI | InChI=1S/C21H28N2O4/c1-13-5-8-20-12-27-18(25)21(20)15(10-22-23-21)3-4-16(20)19(13,2)7-6-14-9-17(24)26-11-14/h9,13,15-16H,3-8,10-12H2,1-2H3/t13-,15?,16?,19+,20?,21?/m0/s1 |
| InChIKey | KLGREVOBBSNXRT-RAGUVOOFSA-N |
| Mol Weight | 372.47 g/mol |
| Molecular Formula | C21H28N2O4 |
| Exact Mass | 372.204907 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CNJK2FfWUdW |
|---|---|
| Name | 3,4-Pyrazolino-amphiacrolide B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28N2O4 |
| InChI | InChI=1S/C21H28N2O4/c1-13-5-8-20-12-27-18(25)21(20)15(10-22-23-21)3-4-16(20)19(13,2)7-6-14-9-17(24)26-11-14/h9,13,15-16H,3-8,10-12H2,1-2H3/t13-,15?,16?,19+,20?,21?/m0/s1 |
| InChIKey | KLGREVOBBSNXRT-RAGUVOOFSA-N |
| Molecular Weight | 372.465 g/mol |
| SMILES | C123C4(C(=O)OC3)N=NCC4CCC2[C@@](CCC2=CC(=O)OC2)(C)[C@](CC1)(C)[H] |
| SPLASH | splash10-0006-2219000000-dd9affd294f3794ee876 |
| Source of Spectrum | X2-53-1323-8 |
| Wiley ID | 1603725 |