| SpectraBase Compound ID | IVS7tvfzx2k |
|---|---|
| InChI | InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m00./s1 |
| InChIKey | BVGLIYRKPOITBQ-SQZIZPOSSA-N |
| Mol Weight | 909.13 g/mol |
| Molecular Formula | C48H56N6O8S2 |
| Exact Mass | 908.360105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4axGXjJBcEy |
|---|---|
| Name | BENZATHIN-PENICILLIN-G |
| Compound Number | 2222 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H56N6O8S2 |
| InChI | InChI=1S/2C16H18N2O4S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12+,14-;/m00./s1 |
| InChIKey | BVGLIYRKPOITBQ-SQZIZPOSSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 909.128 g/mol |
| Sample ID | 2583 |
| Solvent | DMSO-D6 |