| SpectraBase Compound ID | LSPq9a35k4E |
|---|---|
| InChI | InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55) |
| InChIKey | PTXGHCGBYMQQIG-UHFFFAOYSA-N |
| Mol Weight | 844.4 g/mol |
| Molecular Formula | C46H58ClN5O8 |
| Exact Mass | 843.397392 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6iGhUTIyqlO |
|---|---|
| Name | PROGLUMETACIN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C46H58ClN5O8 |
| InChI | InChI=1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55) |
| InChIKey | PTXGHCGBYMQQIG-UHFFFAOYSA-N |
| Instrument Name | DI |
| Molecular Weight | 844.450 g/mol |
| SMILES | N(C(c1ccccc1)=O)C(C(N(CCC)CCC)=O)CCC(=O)OCCCN1CCN(CC1)CCOC(=O)Cc1c2cc(OC)ccc2[n](c1C)C(=O)c1ccc(Cl)cc1 |
| SPLASH | splash10-0a4l-5900000000-51f44b0c942182d55abb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |