SpectraBase Spectrum ID |
5CPybpsN8i5 |
Name |
5-Tert-butyl-2,3-dihydro-1H-indene-2-carbaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
202.135765199 u |
Formula |
C14H18O |
InChI |
InChI=1S/C14H18O/c1-14(2,3)13-5-4-11-6-10(9-15)7-12(11)8-13/h4-5,8-10H,6-7H2,1-3H3 |
InChIKey |
LARODFPLUQXFCQ-UHFFFAOYSA-N |
Molecular Weight |
202.297 g/mol |
SMILES |
C1C(CC=2C=C(C=CC12)C(C)(C)C)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906521 |