SpectraBase Compound ID | ABv2auGXqxu |
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InChI | InChI=1S/C12H17NO5/c1-12(5-4-9(14)17-2)8(6-10(15)18-3)7-13-11(12)16/h6H,4-5,7H2,1-3H3,(H,13,16)/b8-6+ |
InChIKey | DBKXJKXZPSMRMM-SOFGYWHQSA-N |
Mol Weight | 255.27 g/mol |
Molecular Formula | C12H17NO5 |
Exact Mass | 255.110673 g/mol |
SpectraBase Spectrum ID | Gzg9NRmEQp1 |
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Name | |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C12H17NO5 |
InChI | InChI=1S/C12H17NO5/c1-12(5-4-9(14)17-2)8(6-10(15)18-3)7-13-11(12)16/h6H,4-5,7H2,1-3H3,(H,13,16)/b8-6+ |
InChIKey | DBKXJKXZPSMRMM-SOFGYWHQSA-N |
Molecular Weight | 255.1102 |
SMILES | N1C(C(\C(C1)=C/C(OC)=O)(CCC(OC)=O)C)=O |
SPLASH | splash10-00di-4940000000-05a11057ac25ddf9a94c |
Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |