| SpectraBase Spectrum ID |
8IeiOZCR7bs |
| Name |
Spiro[cyclohexane-1,3'-[6,9]methano[2,4]benzodioxepin], 1',5',5'A,6',9',9'A-hexahydro-5-methyl-2-(1-methylethyl)-, stereoisomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.224580204 u |
| Formula |
C19H30O2 |
| InChI |
InChI=1S/C19H30O2/c1-12(2)18-6-4-5-7-19(18)20-11-17-15-8-14(9-15)10-16(17)13(3)21-19/h8,12-13,15-18H,4-7,9-11H2,1-3H3 |
| InChIKey |
JMMNUMKDNHEVDC-UHFFFAOYSA-N |
| SMILES |
C12(OC(C3CC=4CC(C3CO2)C4)C)C(C(C)C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861582 |
![Spiro[cyclohexane-1,3'-[6,9]methano[2,4]benzodioxepin], 1',5',5'a,6',9',9'a-hexahydro-5-methyl-2-(1-methylethyl)-, stereoisomer](/api/spectrum/8IeiOZCR7bs/structure.png?h=300&w=458 "Spiro[cyclohexane-1,3'-[6,9]methano[2,4]benzodioxepin], 1',5',5'a,6',9',9'a-hexahydro-5-methyl-2-(1-methylethyl)-, stereoisomer")
