| SpectraBase Compound ID | MPcFq57qoV |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12) |
| InChIKey | HIDJWBGOQFTDLU-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8Giss4A9T0L |
|---|---|
| Name | 4-Tert.-butoxycarbonylaminobutanoic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12) |
| InChIKey | HIDJWBGOQFTDLU-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | C(=O)(O)CCCNC(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.975661 |