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3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(phenoxymethyl)-4-(2-propenyl)-2-(9H-xanthen-9-yl)-
SpectraBase Compound ID AJTgQ5KLAG9
InChI InChI=1S/C25H21N3O2S/c1-2-16-27-23(17-29-18-10-4-3-5-11-18)26-28(25(27)31)24-19-12-6-8-14-21(19)30-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2
InChIKey OUPXVOWCYFSCQC-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C25H21N3O2S
Exact Mass 427.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITutYnwLtO
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(phenoxymethyl)-4-(2-propenyl)-2-(9H-xanthen-9-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N3O2S
InChI InChI=1S/C25H21N3O2S/c1-2-16-27-23(17-29-18-10-4-3-5-11-18)26-28(25(27)31)24-19-12-6-8-14-21(19)30-22-15-9-7-13-20(22)24/h2-15,24H,1,16-17H2
InChIKey OUPXVOWCYFSCQC-UHFFFAOYSA-N
Molecular Weight 427.522 g/mol
SMILES c1cccc2C(c3c(Oc12)cccc3)N1C(N(C(=N1)COc1ccccc1)CC=C)=S
SPLASH splash10-001i-2900000000-dc7e97598b071b902aa2
Source of Spectrum IY-1-4627-6
Synonyms 5-(Phenoxymethyl)-4-prop-2-enyl-2-(9H-xanthen-9-yl)-1,2,4-triazole-3-thione
Wiley ID 1654259