| SpectraBase Compound ID | 6BXwr2L1fX8 |
|---|---|
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11-,12-,13+,14-,15+,16?,17-,18+,19+,20+,21+/m1/s1 |
| InChIKey | JQUKIICBZSMKGA-LNSMIDDBSA-N |
| Mol Weight | 361.48 g/mol |
| Molecular Formula | C21H31NO4 |
| Exact Mass | 361.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9od0Na7pqAg |
|---|---|
| Name | GRACILINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H31NO4 |
| InChI | InChI=1S/C21H31NO4/c1-3-22-16-20(25)9-12-18(2)6-5-13(26-17(18)22)21(12,16)11-8-10-4-7-19(20,24)14(11)15(10)23/h10-17,23-25H,3-9H2,1-2H3/t10-,11-,12-,13+,14-,15+,16?,17-,18+,19+,20+,21+/m1/s1 |
| InChIKey | JQUKIICBZSMKGA-LNSMIDDBSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |