Debug Info

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FeJ0cccrTmK
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FeJ0cccrTmK
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1,3-dichloro-6-octylisoquinoline
SpectraBase Compound ID HV8UctdOOYS
InChI InChI=1S/C17H21Cl2N/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16(18)20-17(15)19/h9-12H,2-8H2,1H3
InChIKey HUWUCHOOOXFKEC-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C17H21Cl2N
Exact Mass 309.105105 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FeJ0cccrTmK
Name 1,3-dichloro-6-octylisoquinoline
Appearance Colorless oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21Cl2N
InChI InChI=1S/C17H21Cl2N/c1-2-3-4-5-6-7-8-13-9-10-15-14(11-13)12-16(18)20-17(15)19/h9-12H,2-8H2,1H3
InChIKey HUWUCHOOOXFKEC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 310.268 g/mol
Reported Formula C17H21Cl2N
SMILES c1(cc2c(c(n1)Cl)ccc(c2)CCCCCCCC)Cl
SPLASH splash10-03di-0191000000-0f099115687b1b4390f1
Source of Spectrum ACI-59-SM15-4n
Thin-Layer Chromatography Rf = 0.66 (Hexane/Et2O, 9:1)
Wiley ID 1857910
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