![Methyl 6-[3-[2-Hydroxy-3-methoy-5-(hexa-3,5-dien-2-yl)phenyl]acrylamino]penicillanoate](/api/spectrum/FfCgaRVmqAj/structure.png?h=300&w=458 "Methyl 6-[3-[2-Hydroxy-3-methoy-5-(hexa-3,5-dien-2-yl)phenyl]acrylamino]penicillanoate")
| SpectraBase Compound ID | A2jTVZfVmd0 |
|---|---|
| InChI | InChI=1S/C25H30N2O6S/c1-7-8-9-14(2)16-12-15(20(29)17(13-16)32-5)10-11-18(28)26-19-22(30)27-21(24(31)33-6)25(3,4)34-23(19)27/h7-14,19,21,23,29H,1H2,2-6H3,(H,26,28)/b9-8+,11-10+/t14?,19-,21+,23-/m1/s1 |
| InChIKey | JSPYEAUPXWRYKN-RVHHJCDISA-N |
| Mol Weight | 486.58 g/mol |
| Molecular Formula | C25H30N2O6S |
| Exact Mass | 486.182458 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FfCgaRVmqAj |
|---|---|
| Name | Methyl 6-[3-[2-Hydroxy-3-methoy-5-(hexa-3,5-dien-2-yl)phenyl]acrylamino]penicillanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30N2O6S |
| InChI | InChI=1S/C25H30N2O6S/c1-7-8-9-14(2)16-12-15(20(29)17(13-16)32-5)10-11-18(28)26-19-22(30)27-21(24(31)33-6)25(3,4)34-23(19)27/h7-14,19,21,23,29H,1H2,2-6H3,(H,26,28)/b9-8+,11-10+/t14?,19-,21+,23-/m1/s1 |
| InChIKey | JSPYEAUPXWRYKN-RVHHJCDISA-N |
| Molecular Weight | 486.583 g/mol |
| SMILES | N([C@@]1(C(N2[C@@]1(SC([C@@]2(C(=O)OC)[H])(C)C)[H])=O)[H])C(\C=C\c1cc(cc(c1O)OC)C(\C=C\C=C)C)=O |
| SPLASH | splash10-00di-0910100000-0c8e8da965df6a14342b |
| Source of Spectrum | Y1-46-1130-5 |
| Wiley ID | 1622381 |