| SpectraBase Compound ID | F0Jy1tEFnOr |
|---|---|
| InChI | InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/p-1 |
| InChIKey | LXWBXEWUSAABOA-UHFFFAOYSA-M |
| Mol Weight | 445.42 g/mol |
| Molecular Formula | C16H21N4O9S |
| Exact Mass | 445.102924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eaz0qkIfBzb |
|---|---|
| Name | Cephamycin C anion |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H21N4O9S |
| InChI | InChI=1S/C16H22N4O9S/c1-28-16(19-9(21)4-2-3-8(17)11(22)23)13(26)20-10(12(24)25)7(5-29-15(18)27)6-30-14(16)20/h8,14H,2-6,17H2,1H3,(H2,18,27)(H,19,21)(H,22,23)(H,24,25)/p-1 |
| InChIKey | LXWBXEWUSAABOA-UHFFFAOYSA-M |
| Instrument Name | Varian XL-100 |
| Literature Reference | E.J. Grabowski, A.W. Douglas, G.B.Smith, J. Am. Chem. Soc. 107, 267 (1985). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | Acetone-D6 |