SpectraBase Spectrum ID |
LXLeRv9blGW |
Name |
1-Piperidinecarboxy-2',3'-xylidide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.157563271 u |
Formula |
C14H20N2O |
InChI |
InChI=1S/C14H20N2O/c1-11-7-6-8-13(12(11)2)15-14(17)16-9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3,(H,15,17) |
InChIKey |
OBGXFUHAVLXXCP-UHFFFAOYSA-N |
Molecular Weight |
232.327 g/mol |
SMILES |
N(C(N1CCCCC1)=O)C=1C(=C(C=CC1)C)C |
Spectrum/Structure Validation Score (Raman) |
0.936327 |