SpectraBase Spectrum ID |
8WCcRGLKMV0 |
Name |
1-aza-7-Hydroxy-7-methyl-9-isopropylmethylene-bicyclo[4.4.0]decane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.209264492 u |
Formula |
C14H27NO |
InChI |
InChI=1S/C14H27NO/c1-11(2)8-12-9-14(3,16)13-6-4-5-7-15(13)10-12/h11-13,16H,4-10H2,1-3H3 |
InChIKey |
FMUSYHKFUHFIPY-UHFFFAOYSA-N |
Molecular Weight |
225.376 g/mol |
SMILES |
C12N(CC(CC2(O)C)CC(C)C)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904527 |