| SpectraBase Spectrum ID |
1W4nGq6TiFi |
| Name |
S-(-)-5-methyl-1,3,4,5-tetrahydrobenz[B]azepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
175.099714042 u |
| Formula |
C11H13NO |
| InChI |
InChI=1S/C11H13NO/c1-8-6-7-11(13)12-10-5-3-2-4-9(8)10/h2-5,8H,6-7H2,1H3,(H,12,13)/t8-/m0/s1 |
| InChIKey |
QKPXZBCOUCASTL-QMMMGPOBSA-N |
| Molecular Weight |
175.231 g/mol |
| SMILES |
C=12NC(CC[C@@](C2=CC=CC1)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824422 |
![S-(-)-5-methyl-1,3,4,5-tetrahydrobenz[b]azepin-2-one](/api/spectrum/1W4nGq6TiFi/structure.png?h=300&w=458 "S-(-)-5-methyl-1,3,4,5-tetrahydrobenz[b]azepin-2-one")
