| SpectraBase Spectrum ID |
KftEIL1pJkp |
| Name |
Isonipecotic acid, N-(N'-methoxycarbonylisonipecotinoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.168521876 u |
| Formula |
C15H24N2O5 |
| InChI |
InChI=1S/C15H24N2O5/c1-21-14(19)12-5-7-16(8-6-12)13(18)11-3-9-17(10-4-11)15(20)22-2/h11-12H,3-10H2,1-2H3 |
| InChIKey |
ZSOSKYONZTXASZ-UHFFFAOYSA-N |
| Molecular Weight |
312.366 g/mol |
| SMILES |
COC(N1CCC(C(=O)N2CCC(C(OC)=O)CC2)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.806817 |
