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(R)-5,5-Dimethyl-2-[5-(hexahydroazepine-2-ylideneamino)-pentyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SpectraBase Compound ID 9PEuUNlVW2G
InChI InChI=1S/C17H29N3O2S/c1-17(2)15(16(21)22)20-14(23-17)10-6-4-8-12-19-13-9-5-3-7-11-18-13/h15H,3-12H2,1-2H3,(H,18,19)(H,21,22)/t15-/m1/s1
InChIKey RIRSLVPSMLNBRE-OAHLLOKOSA-N
Mol Weight 339.5 g/mol
Molecular Formula C17H29N3O2S
Exact Mass 339.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hG4Af1H1s
Name (R)-5,5-Dimethyl-2-[5-(hexahydroazepine-2-ylideneamino)-pentyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Alternate Name(s) (R)-2-(5-(azepan-2-ylideneamino)pentyl)-5,5-dimethyl-4,5-dihydrothiazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29N3O2S
InChI InChI=1S/C17H29N3O2S/c1-17(2)15(16(21)22)20-14(23-17)10-6-4-8-12-19-13-9-5-3-7-11-18-13/h15H,3-12H2,1-2H3,(H,18,19)(H,21,22)/t15-/m1/s1
InChIKey RIRSLVPSMLNBRE-OAHLLOKOSA-N
Literature Reference DOI 10.1002/prac.199533701117
Molecular Weight 339.498 g/mol
SMILES OC([C@@]1(C(SC(CCCCCN=C2NCCCCC2)=N1)(C)C)[H])=O
SPLASH splash10-0007-9000000000-163c7bc3710c09686a2b
Source of Spectrum JF-337-556-14g
Wiley ID 1789933