| SpectraBase Spectrum ID |
3zkPObwCg9J |
| Name |
cis-2-Benzoyl-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.136493473 u |
| Formula |
C18H19NO3 |
| InChI |
InChI=1S/C18H19NO3/c19-12-14-15(16(20)13-4-2-1-3-5-13)17(14)6-8-18(9-7-17)21-10-11-22-18/h1-5,14-15H,6-11H2/t14-,15-/m0/s1 |
| InChIKey |
DPSBLNZJPXFNTP-GJZGRUSLSA-N |
| Molecular Weight |
297.354 g/mol |
| SMILES |
C12([C@](C(=O)C=3C=CC=CC3)([C@@]1(C#N)[H])[H])CCC1(CC2)OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816591 |
![cis-2-Benzoyl-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile](/api/spectrum/3zkPObwCg9J/structure.png?h=300&w=458 "cis-2-Benzoyl-7,10-dioxadispiro[2.2.4.2]dodecane-1-carbonitrile")
