| SpectraBase Spectrum ID |
A5c7eh6fHiJ |
| Name |
(3S,5R)-3-(Methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol, methyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-13-9-7-12(14-2)10-5-3-4-6-11(10)15-8-9/h3-6,9,12-13H,7-8H2,1-2H3/t9-,12+/m0/s1 |
| InChIKey |
LCUHKNBXLJUDGC-JOYOIKCWSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
[C@]1(NC)(COC2=C(C=CC=C2)[C@@](C1)(OC)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92301 |
