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2-Acetylamino-4-trifluoromethyl-6,7,8,9,10,11-hexahydro-5,9;7,11-dimethano-5H-[9]annuleno[d]pyrimidine
SpectraBase Compound ID 5RiG4Zs5gJH
InChI InChI=1S/C16H18F3N3O/c1-7(23)20-15-21-13-11-5-8-2-9(6-11)4-10(3-8)12(13)14(22-15)16(17,18)19/h8-11H,2-6H2,1H3,(H,20,21,22,23)/t8-,9+,10-,11+
InChIKey QRJYMLZRZPDYQJ-DTIDVZRVSA-N
Mol Weight 325.34 g/mol
Molecular Formula C16H18F3N3O
Exact Mass 325.140197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eUC03XaNqi
Name 2-Acetylamino-4-trifluoromethyl-6,7,8,9,10,11-hexahydro-5,9;7,11-dimethano-5H-[9]annuleno[d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18F3N3O
InChI InChI=1S/C16H18F3N3O/c1-7(23)20-15-21-13-11-5-8-2-9(6-11)4-10(3-8)12(13)14(22-15)16(17,18)19/h8-11H,2-6H2,1H3,(H,20,21,22,23)/t8-,9+,10-,11+
InChIKey QRJYMLZRZPDYQJ-DTIDVZRVSA-N
Molecular Weight 325.335 g/mol
SMILES N(c1nc2c(c(n1)C(F)(F)F)[C@]1(C[C@@]3(C[C@@]2(C[C@](C1)(C3)[H])[H])[H])[H])C(=O)C
SPLASH splash10-004i-0039000000-9c8e9df37e51bf519fcd
Source of Spectrum H1-42-337-3
Synonyms N-[6-(trifluoromethyl)-3,5-diazatetracyclo[8.3.1.1(8,12).0(2,7)]pentadeca-2,4,6-trien-4-yl]acetamide
Wiley ID 757574