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1-(t-Butyl)isoquinoline - sulfoxide
SpectraBase Compound ID 5RtPYEMskt2
InChI InChI=1S/C13H15NOS/c1-13(2,3)16(15)12-11-7-5-4-6-10(11)8-9-14-12/h4-9H,1-3H3
InChIKey OUINGXONCAYMPB-UHFFFAOYSA-N
Mol Weight 233.33 g/mol
Molecular Formula C13H15NOS
Exact Mass 233.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GE1YabOOuEQ
Name 1-(t-Butyl)isoquinoline - sulfoxide
Comments Less than 3 mono-isotopic peaks
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Formula C13H15NOS
InChI InChI=1S/C13H15NOS/c1-13(2,3)16(15)12-11-7-5-4-6-10(11)8-9-14-12/h4-9H,1-3H3
InChIKey OUINGXONCAYMPB-UHFFFAOYSA-N
Molecular Weight 233.329 g/mol
SMILES c1(S(C(C)(C)C)=O)c2c(cccc2)ccn1
SPLASH splash10-004i-0900000000-ec2d7156bc5443ede68e
Source of Spectrum B-50-1157-5
Synonyms 1-(tert-butylsulfinyl)isoquinoline tert-butyl 1-isoquinolinyl sulfoxide
Wiley ID 745504