SpectraBase Compound ID | 74jnQWxPZOg |
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InChI | InChI=1S/C12H14ClNO3/c1-8(2)7-17-12(16)11(15)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15) |
InChIKey | KSPFEOKVTYIANK-UHFFFAOYSA-N |
Mol Weight | 255.7 g/mol |
Molecular Formula | C12H14ClNO3 |
Exact Mass | 255.066221 g/mol |
SpectraBase Spectrum ID | GXs653Iq8qf |
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Name | Oxalic acid, monoamide, N-(3-clorophenyl)-, isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 255.066221012 u |
Formula | C12H14ClNO3 |
InChI | InChI=1S/C12H14ClNO3/c1-8(2)7-17-12(16)11(15)14-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,15) |
InChIKey | KSPFEOKVTYIANK-UHFFFAOYSA-N |
Molecular Weight | 255.701 g/mol |
SMILES | CC(COC(C(=O)NC1=CC=CC(=C1)Cl)=O)C |