| SpectraBase Spectrum ID |
JCtJtzUQikI |
| Name |
2-(2-Naphthalenyl)acetic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.130679818 u |
| Formula |
C16H18O2 |
| InChI |
InChI=1S/C16H18O2/c1-16(2,3)18-15(17)11-12-8-9-13-6-4-5-7-14(13)10-12/h4-10H,11H2,1-3H3 |
| InChIKey |
AJACKPZBVYKKRE-UHFFFAOYSA-N |
| Molecular Weight |
242.318 g/mol |
| SMILES |
C(CC=1C=C2C(=CC1)C=CC=C2)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856767 |
