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3-[4-(Trifluoromethyl)phenyl]-6-benzyl-1,2,4,5-tetrazine
SpectraBase Compound ID Dhtu6ftbX1a
InChI InChI=1S/C16H11F3N4/c17-16(18,19)13-8-6-12(7-9-13)15-22-20-14(21-23-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey MICZRAVMKNPSEM-UHFFFAOYSA-N
Mol Weight 316.29 g/mol
Molecular Formula C16H11F3N4
Exact Mass 316.093581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4DT70RQcgS
Name 3-[4-(Trifluoromethyl)phenyl]-6-benzyl-1,2,4,5-tetrazine
Alternate Name(s) 3-(Phenylmethyl)-6-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11F3N4
InChI InChI=1S/C16H11F3N4/c17-16(18,19)13-8-6-12(7-9-13)15-22-20-14(21-23-15)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey MICZRAVMKNPSEM-UHFFFAOYSA-N
Molecular Weight 316.287 g/mol
SMILES c1(nnc(nn1)Cc1ccccc1)-c1ccc(C(F)(F)F)cc1
SPLASH splash10-014l-4900000000-512c4b9414fc516f964b
Source of Spectrum Y-45-1749-10d
Wiley ID 1666603