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4-(Propylthio)isoquinoline

View entire compound with spectra: 1 MS (GC)

4-(Propylthio)isoquinoline
SpectraBase Compound ID 1TULdPddvfT
InChI InChI=1S/C12H13NS/c1-2-7-14-12-9-13-8-10-5-3-4-6-11(10)12/h3-6,8-9H,2,7H2,1H3
InChIKey IURRILMJGMQJNA-UHFFFAOYSA-N
Mol Weight 203.3 g/mol
Molecular Formula C12H13NS
Exact Mass 203.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAuaysjTQhb
Name 4-(Propylthio)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NS
InChI InChI=1S/C12H13NS/c1-2-7-14-12-9-13-8-10-5-3-4-6-11(10)12/h3-6,8-9H,2,7H2,1H3
InChIKey IURRILMJGMQJNA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00208
Molecular Weight 203.303 g/mol
SMILES c1ncc(c2ccccc12)SCCC
SPLASH splash10-0w29-1950000000-ca3d74feb11371ff07a8
Source of Spectrum A1-18-876/SM13-2o
Wiley ID 1805241