SpectraBase Spectrum ID |
7gYi4VwDvOh |
Name |
4-(Phenylthio)naphthalic anhydride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.035065353 u |
Formula |
C18H10O3S |
InChI |
InChI=1S/C18H10O3S/c19-17-13-8-4-7-12-15(22-11-5-2-1-3-6-11)10-9-14(16(12)13)18(20)21-17/h1-10H |
InChIKey |
AKJAMPYYZKXELD-UHFFFAOYSA-N |
Molecular Weight |
306.335 g/mol |
SMILES |
C12=CC=C(C=3C=CC=C(C(OC2=O)=O)C13)SC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) |
0.952196 |