SpectraBase Spectrum ID |
3u00fvJajLt |
Name |
1,4-Dihydroxy-2,3-dimethyl-8-chlorophenoxazine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.050570947 u |
Formula |
C14H12ClNO3 |
InChI |
InChI=1S/C14H12ClNO3/c1-6-7(2)13(18)14-11(12(6)17)16-9-5-8(15)3-4-10(9)19-14/h3-5,16-18H,1-2H3 |
InChIKey |
HTDMHQODIGKLAX-UHFFFAOYSA-N |
SMILES |
C12=C(OC=3C(N2)=CC(=CC3)Cl)C(O)=C(C(=C1O)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925036 |