SpectraBase Spectrum ID |
3RMLDenEyMJ |
Name |
5-(2,3-Dihydro-1,4-benzoxathiin-2-yl)-2-methoxyphenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.066365482 u |
Formula |
C15H14O3S |
InChI |
InChI=1S/C15H14O3S/c1-17-12-7-6-10(8-11(12)16)14-9-19-15-5-3-2-4-13(15)18-14/h2-8,14,16H,9H2,1H3 |
InChIKey |
YTNBOYUMFVIHND-UHFFFAOYSA-N |
SMILES |
C1(OC=2C(SC1)=CC=CC2)C1=CC(O)=C(C=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917696 |