SpectraBase Spectrum ID |
DNmM50yyrQP |
Name |
2-oxo-1-oxa-Spiro[4.5]decane-4-carboxylic acid tert-butylamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.167793602 u |
Formula |
C14H23NO3 |
InChI |
InChI=1S/C14H23NO3/c1-13(2,3)15-12(17)10-9-11(16)18-14(10)7-5-4-6-8-14/h10H,4-9H2,1-3H3,(H,15,17) |
InChIKey |
PFOHMOSUHWDDIM-UHFFFAOYSA-N |
Molecular Weight |
253.342 g/mol |
SMILES |
C1(C(NC(C)(C)C)=O)C2(OC(C1)=O)CCCCC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91025 |