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2-Amino-1-(2-methoxyphenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 5tS56JLiKtY
InChI InChI=1S/C19H17F6N3O/c1-29-15-9-5-4-8-14(15)28-13-7-3-2-6-11(13)17(18(20,21)22,19(23,24)25)12(10-26)16(28)27/h4-5,8-9H,2-3,6-7,27H2,1H3
InChIKey NMHYJSQFVFUCPF-UHFFFAOYSA-N
Mol Weight 417.36 g/mol
Molecular Formula C19H17F6N3O
Exact Mass 417.127581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJwboo99c2o
Name 2-Amino-1-(2-methoxyphenyl)-4,4-bis(trifluoromethyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
CAS Registry Number 299922-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17F6N3O
InChI InChI=1S/C19H17F6N3O/c1-29-15-9-5-4-8-14(15)28-13-7-3-2-6-11(13)17(18(20,21)22,19(23,24)25)12(10-26)16(28)27/h4-5,8-9H,2-3,6-7,27H2,1H3
InChIKey NMHYJSQFVFUCPF-UHFFFAOYSA-N
Molecular Weight 417.355 g/mol
SMILES NC1=C(C(C2=C(N1c1c(OC)cccc1)CCCC2)(C(F)(F)F)C(F)(F)F)C#N
SPLASH splash10-0002-5529000000-012ec4a9dc73fb843b64
Source of Spectrum AD-0-2532-0
Synonyms 2-Amino-1-(2-methoxyphenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile 2-Azanyl-1-(2-methoxyphenyl)-4,4-bis(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Quinoline-3-carbonitrile, 1,4,5,6,7,8-hexahydro-2-amino-4,4-bis(trifluoromethyl)-1-(2-methoxyphenyl)-
Wiley ID 1420490