SpectraBase Spectrum ID |
2OxRANj6j08 |
Name |
6H-Benzo[D]naphtho[1,2-B]pyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
232.088815005 u |
Formula |
C17H12O |
InChI |
InChI=1S/C17H12O/c1-4-8-15-12(5-1)9-10-16-14-7-3-2-6-13(14)11-18-17(15)16/h1-10H,11H2 |
InChIKey |
MQMSDYWXQGIRST-UHFFFAOYSA-N |
Molecular Weight |
232.282 g/mol |
SMILES |
C1=CC=CC2=C1C=1C=CC=3C(=CC=CC3)C1OC2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898451 |