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3-Methoxycarbonylmethyl-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
SpectraBase Compound ID HYgXZrdwqa9
InChI InChI=1S/C16H19F3N2O2/c1-23-12(22)7-21-14-11-5-8-2-9(6-11)4-10(3-8)13(14)15(20-21)16(17,18)19/h8-11H,2-7H2,1H3/t8-,9+,10-,11+
InChIKey QJTYHBRGXFVPAO-DTIDVZRVSA-N
Mol Weight 328.34 g/mol
Molecular Formula C16H19F3N2O2
Exact Mass 328.139862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OYNceX2QRa
Name 3-Methoxycarbonylmethyl-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3N2O2
InChI InChI=1S/C16H19F3N2O2/c1-23-12(22)7-21-14-11-5-8-2-9(6-11)4-10(3-8)13(14)15(20-21)16(17,18)19/h8-11H,2-7H2,1H3/t8-,9+,10-,11+
InChIKey QJTYHBRGXFVPAO-DTIDVZRVSA-N
Molecular Weight 328.335 g/mol
SMILES [C@]12(c3[n](nc(c3[C@@]3(C[C@@](C[C@](C1)(C3)[H])(C2)[H])[H])C(F)(F)F)CC(=O)OC)[H]
SPLASH splash10-004i-0069000000-7d13625652dbf5f0acd7
Source of Spectrum SO-0-1461-12
Synonyms Methyl[5-(trifluoromethyl)-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-dien-3-yl]acetate
Wiley ID 1545402