| SpectraBase Spectrum ID |
JmUz7hAfW8G |
| Name |
.beta.-Alanyl-.beta.-alanine, N-neopentyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.215472069 u |
| Formula |
C16H30N2O5 |
| InChI |
InChI=1S/C16H30N2O5/c1-12(2)10-22-14(20)7-9-17-13(19)6-8-18-15(21)23-11-16(3,4)5/h12H,6-11H2,1-5H3,(H,17,19)(H,18,21) |
| InChIKey |
ISNKQUIRPIFTFQ-UHFFFAOYSA-N |
| Molecular Weight |
330.425 g/mol |
| SMILES |
C(COC(NCCC(NCCC(OCC(C)C)=O)=O)=O)(C)(C)C |
