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Isoquinoline, 1-butyl-

View entire compound with spectra: 2 MS (GC)

Isoquinoline, 1-butyl-
SpectraBase Compound ID 96qDAploPf9
InChI InChI=1S/C13H15N/c1-2-3-8-13-12-7-5-4-6-11(12)9-10-14-13/h4-7,9-10H,2-3,8H2,1H3
InChIKey KXAVXNWSOPHOON-UHFFFAOYSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBEl8cONM9i
Name Isoquinoline, 1-butyl-
Alternate Name(s) 1-Butylisoquinoline
CAS Registry Number 7661-38-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N
InChI InChI=1S/C13H15N/c1-2-3-8-13-12-7-5-4-6-11(12)9-10-14-13/h4-7,9-10H,2-3,8H2,1H3
InChIKey KXAVXNWSOPHOON-UHFFFAOYSA-N
Molecular Weight 185.270 g/mol
SMILES CCCCc1c2ccccc2ccn1
SPLASH splash10-0006-2900000000-842880390420d74a7242
Source of Spectrum W5-13198-0-0
Wiley ID 1182100