SpectraBase Spectrum ID |
3uS2t7ue6VT |
Name |
2,2-Dimethyl-N-[(7Z,9Z)-9-methyl-5,6-dihydrobenzocycloocten-5-yl]propionamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
283.193614428 u |
Formula |
C19H25NO |
InChI |
InChI=1S/C19H25NO/c1-13-10-14(2)12-17(20-18(21)19(3,4)5)16-9-7-6-8-15(16)11-13/h6-11,17H,12H2,1-5H3,(H,20,21)/b13-11-,14-10- |
InChIKey |
RSWNTTMSXKZBDU-QFCYPFEVSA-N |
Molecular Weight |
283.415 g/mol |
SMILES |
C1(NC(C(C)(C)C)=O)C=2C(\C=C/(\C=C/(C1)C)C)=CC=CC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830592 |