| SpectraBase Spectrum ID |
Evs2ke0EQbb |
| Name |
1-Methyl-2-propynyl 1-naphthalenecarboxylate; 1-naphthalenecarboxylic acid, 1-methyl-2-propynyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.083729624 u |
| Formula |
C15H12O2 |
| InChI |
InChI=1S/C15H12O2/c1-3-11(2)17-15(16)14-10-6-8-12-7-4-5-9-13(12)14/h1,4-11H,2H3 |
| InChIKey |
LZHRKWUDBZXWLC-UHFFFAOYSA-N |
| Molecular Weight |
224.259 g/mol |
| SMILES |
C1(=CC=CC=2C=CC=CC12)C(=O)OC(C#C)C |
| Spectrum/Structure Validation Score (Raman) |
0.837285 |
