SpectraBase Spectrum ID |
50wBv5rYSJp |
Name |
Spiro[2-aza-trans-1,2-dimethylbicyclo[4.4.0)decane,-4,2'-3'-hydroxymethyl-oxirane] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.172878983 u |
Formula |
C13H23NO2 |
InChI |
InChI=1S/C13H23NO2/c1-12-6-4-3-5-10(12)7-13(9-14(12)2)11(8-15)16-13/h10-11,15H,3-9H2,1-2H3/t10-,11?,12+,13?/m1/s1 |
InChIKey |
IWMYJZYVRHERMT-IGJPJIBNSA-N |
Molecular Weight |
225.332 g/mol |
SMILES |
C12(OC2CO)CN(C)[C@@]2([C@@](C1)(CCCC2)[H])C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887562 |