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Isothiourea, 2-methyl-3-(1,1-dimethyl-2-propynyl)-1-(1-naphtyl)-
SpectraBase Compound ID 29qCeDDuv9M
InChI InChI=1S/C17H18N2S/c1-5-17(2,3)19-16(20-4)18-15-12-8-10-13-9-6-7-11-14(13)15/h1,6-12H,2-4H3,(H,18,19)
InChIKey SHPGFEHJDKMQHF-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C17H18N2S
Exact Mass 282.11907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMJMf7tteOH
Name Isothiourea, 2-methyl-3-(1,1-dimethyl-2-propynyl)-1-(1-naphtyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2S
InChI InChI=1S/C17H18N2S/c1-5-17(2,3)19-16(20-4)18-15-12-8-10-13-9-6-7-11-14(13)15/h1,6-12H,2-4H3,(H,18,19)
InChIKey SHPGFEHJDKMQHF-UHFFFAOYSA-N
Molecular Weight 282.405 g/mol
SMILES N(\C(=N\C(C#C)(C)C)SC)c1c2c(cccc2)ccc1
SPLASH splash10-014i-1390000000-817a80abd1adc3c5bf3a
Source of Spectrum AD-0-2532-0
Synonyms 3-(1,1-dimethylprop-2-ynyl)-2-methyl-1-(1-naphthyl)isothiourea Methyl N'-(2-methylbut-3-yn-2-yl)-N-naphthalen-1-yl-carbamimidothioate Methyl N'-[(Z)-1,1-dimethyl-2-propynyl]-N-(1-naphthyl)imidothiocarbamate N'-(2-methylbut-3-yn-2-yl)-N-(1-naphthalenyl)carbamimidothioic acid methyl ester
Wiley ID 1428773