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(S)-2-[5-(Hexahydroazepine-2-ylideneamino)-pentyl]-4,5-dihydro-1,3-thiazole-4-carboxylic Acid
SpectraBase Compound ID mY2IpCXJZ9
InChI InChI=1S/C15H25N3O2S/c19-15(20)12-11-21-14(18-12)8-4-2-6-10-17-13-7-3-1-5-9-16-13/h12H,1-11H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKey OZOSBHGSTIJLCY-GFCCVEGCSA-N
Mol Weight 311.44 g/mol
Molecular Formula C15H25N3O2S
Exact Mass 311.166748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hu9OtKj4LP
Name (S)-2-[5-(Hexahydroazepine-2-ylideneamino)-pentyl]-4,5-dihydro-1,3-thiazole-4-carboxylic Acid
Alternate Name(s) (S)-2-(5-(azepan-2-ylideneamino)pentyl)-4,5-dihydrothiazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25N3O2S
InChI InChI=1S/C15H25N3O2S/c19-15(20)12-11-21-14(18-12)8-4-2-6-10-17-13-7-3-1-5-9-16-13/h12H,1-11H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKey OZOSBHGSTIJLCY-GFCCVEGCSA-N
Literature Reference DOI 10.1002/prac.199533701117
Molecular Weight 311.444 g/mol
SMILES OC([C@]1(CSC(CCCCCN=C2NCCCCC2)=N1)[H])=O
SPLASH splash10-0002-9200000000-0f189b8fbcbd2ef3b8d0
Source of Spectrum JF-337-555-14c
Wiley ID 1789930