| SpectraBase Spectrum ID |
5HxKKuvEMYB |
| Name |
N-Isobutyryldehydroalanine methyl ester |
| Alternate Name(s) |
2-[(2-methyl-1-oxopropyl)amino]-2-propenoic acid methyl ester
methyl 2-(2-methylpropanoylamino)prop-2-enoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H13NO3 |
| InChI |
InChI=1S/C8H13NO3/c1-5(2)7(10)9-6(3)8(11)12-4/h5H,3H2,1-2,4H3,(H,9,10) |
| InChIKey |
YHCQFKMFQBNPLN-UHFFFAOYSA-N |
| Molecular Weight |
171.196 g/mol |
| SMILES |
N(C(C(=O)OC)=C)C(=O)C(C)C |
| SPLASH |
splash10-00di-0900000000-fd8ed567eb04ff585660 |
| Source of Spectrum |
C4-2002-185-0 |
| Wiley ID |
1520110 |
