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2-Amino-4-(3-fluorophenyl)-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile
SpectraBase Compound ID LwL8daUDy6q
InChI InChI=1S/C16H17FN2S2/c17-12-6-4-5-11(9-12)14-13(10-18)15(19)21-16(20-14)7-2-1-3-8-16/h4-6,9,14H,1-3,7-8,19H2
InChIKey QKMPJOQFAYOJHQ-UHFFFAOYSA-N
Mol Weight 320.44 g/mol
Molecular Formula C16H17FN2S2
Exact Mass 320.081719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5S9ToRJC6aR
Name 2-Amino-4-(3-fluorophenyl)-1,5-dithiaspiro[5.5]undec-2-ene-3-carbonitrile
Alternate Name(s) 1,5-Dithiaspiro[5,5]undec-2-ene, 2-amino-3-cyano-4-(3-fluorophenyl)- 10-amino-8-(3-fluorophenyl)-7,11-dithiaspiro[5.5]undec-9-ene-9-carbonitrile 4-Azanyl-2-(3-fluorophenyl)-1,5-dithiaspiro[5.5]undec-3-ene-3-carbonitrile
CAS Registry Number 94833-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17FN2S2
InChI InChI=1S/C16H17FN2S2/c17-12-6-4-5-11(9-12)14-13(10-18)15(19)21-16(20-14)7-2-1-3-8-16/h4-6,9,14H,1-3,7-8,19H2
InChIKey QKMPJOQFAYOJHQ-UHFFFAOYSA-N
Molecular Weight 320.444 g/mol
SMILES NC1=C(C(c2cc(F)ccc2)SC2(S1)CCCCC2)C#N
SPLASH splash10-08gi-9530000000-73c3b537bac8fd36381d
Source of Spectrum AD-0-2532-0
Wiley ID 1422681