| SpectraBase Spectrum ID |
GRhn19nRJqH |
| Name |
2-Phenyl-2,3,4,5-tetrahydro-1-benzoxepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.120115134 u |
| Formula |
C16H16O |
| InChI |
InChI=1S/C16H16O/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)17-16/h1-5,7-9,11,16H,6,10,12H2 |
| InChIKey |
NESQJDDRAGJXCQ-UHFFFAOYSA-N |
| Molecular Weight |
224.303 g/mol |
| SMILES |
C=12OC(CCCC2=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94589 |
