| SpectraBase Spectrum ID |
3KekcXYm2O8 |
| Name |
Spiro[1-isopropyl-4-methylcyclohexane-2,2'-benzo[D]oxepine] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.214015521 u |
| Formula |
C19H28O |
| InChI |
InChI=1S/C19H28O/c1-14(2)18-9-8-15(3)12-19(18)13-17-7-5-4-6-16(17)10-11-20-19/h4-7,14-15,18H,8-13H2,1-3H3/t15-,18-,19+/m0/s1 |
| InChIKey |
QBZHSLNYVXKCAX-ZYSHUDEJSA-N |
| Molecular Weight |
272.432 g/mol |
| SMILES |
[C@@]12([C@@](CC[C@@](C2)(C)[H])(C(C)C)[H])CC2=C(C=CC=C2)CCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83945 |
![Spiro[1-Isopropyl-4-methylcyclohexane-2,2'-benzo[d]oxepine]](/api/spectrum/3KekcXYm2O8/structure.png?h=300&w=458 "Spiro[1-Isopropyl-4-methylcyclohexane-2,2'-benzo[d]oxepine]")
