| SpectraBase Spectrum ID |
3gl9kD9i2AX |
| Name |
7-Fluoro-cis-2-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1H-benzo[B]azepin-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.121592301 u |
| Formula |
C13H16FNO |
| InChI |
InChI=1S/C13H16FNO/c1-8(2)13-7-11(16)6-9-5-10(14)3-4-12(9)15-13/h3-5,11,13,15-16H,1,6-7H2,2H3/t11-,13+/m1/s1 |
| InChIKey |
OJNPYBUJAOJOFU-YPMHNXCESA-N |
| Molecular Weight |
221.275 g/mol |
| SMILES |
[C@]1(NC=2C(C[C@](C1)(O)[H])=CC(=CC2)F)(C(=C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921317 |
![7-Fluoro-cis-2-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-ol](/api/spectrum/3gl9kD9i2AX/structure.png?h=300&w=458 "7-Fluoro-cis-2-(prop-1-en-2-yl)-2,3,4,5-tetrahydro-1H-benzo[b]azepin-4-ol")
