| SpectraBase Compound ID | 45cAxF8jVTv |
|---|---|
| InChI | InChI=1S/C20H29NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-14,16,24H,1,5-10H2,2-4H3,(H,21,23)/b17-11+/t13?,14-,16?,20?/m1/s1 |
| InChIKey | KFRPDESGMXVVHV-HOWPRUBTSA-N |
| Mol Weight | 331.46 g/mol |
| Molecular Formula | C20H29NO3 |
| Exact Mass | 331.214744 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3A4Lkylo0BH |
|---|---|
| Name | Cespitulactam I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H29NO3 |
| InChI | InChI=1S/C20H29NO3/c1-12-5-6-14-7-8-16-18(23)21-17(20(16,24)19(14,3)4)11-13(2)10-15(22)9-12/h11,13-14,16,24H,1,5-10H2,2-4H3,(H,21,23)/b17-11+/t13?,14-,16?,20?/m1/s1 |
| InChIKey | KFRPDESGMXVVHV-HOWPRUBTSA-N |
| Molecular Weight | 331.456 g/mol |
| SMILES | N1C(C2CC[C@]3(CCC(CC(CC(\C=C\1C2(C3(C)C)O)C)=O)=C)[H])=O |
| SPLASH | splash10-0i10-2900000000-d2cfe366bd49616f4d25 |
| Source of Spectrum | G4-70-1965-6 |
| Wiley ID | 1694838 |