SpectraBase Spectrum ID |
JPAstWC2vM5 |
Name |
cp 2et |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
293.199093730 u |
Formula |
C17H27NO3 |
InChI |
InChI=1S/C17H27NO3/c1-5-18(6-2)10-9-13-11-15(19-3)17(16(12-13)20-4)21-14-7-8-14/h11-12,14H,5-10H2,1-4H3 |
InChIKey |
DSLXTDDGTAYVRQ-UHFFFAOYSA-N |
Molecular Weight |
293.407 g/mol |
SMILES |
C1(=C(C=C(C=C1OC)CCN(CC)CC)OC)OC1CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894865 |