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5,5,9-trimethyl-3H-chromeno[4,3-e][1,2,4]triazine-2-thione
SpectraBase Compound ID E6cD10Z4cjN
InChI InChI=1S/C13H13N3OS/c1-7-4-5-9-8(6-7)10-11(13(2,3)17-9)15-16-12(18)14-10/h4-6H,1-3H3,(H,14,16,18)
InChIKey BVHKOVKKIKALBR-UHFFFAOYSA-N
Mol Weight 259.33 g/mol
Molecular Formula C13H13N3OS
Exact Mass 259.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBpjqeDHYi7
Name 5,5,9-trimethyl-3H-chromeno[4,3-e][1,2,4]triazine-2-thione
Alternate Name(s) 5,5,9-trimethyl-3H-[1]benzopyrano[4,3-e][1,2,4]triazine-2-thione
CAS Registry Number 96918-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3OS
InChI InChI=1S/C13H13N3OS/c1-7-4-5-9-8(6-7)10-11(13(2,3)17-9)15-16-12(18)14-10/h4-6H,1-3H3,(H,14,16,18)
InChIKey BVHKOVKKIKALBR-UHFFFAOYSA-N
Molecular Weight 259.327 g/mol
SMILES N1N=C2C(=NC1=S)c1cc(ccc1OC2(C)C)C
SPLASH splash10-0a4l-0590000000-a90e4f51a12a5852d2e8
Source of Spectrum Y-22-36-5
Wiley ID 1262616