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Benzyl [(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate
SpectraBase Compound ID DWj0mhvidf5
InChI InChI=1S/C16H13N3O4S/c20-15(23-9-11-4-2-1-3-5-11)10-24-16-17-13-7-6-12(19(21)22)8-14(13)18-16/h1-8H,9-10H2,(H,17,18)
InChIKey UYBMMAGUGWXLQZ-UHFFFAOYSA-N
Mol Weight 343.36 g/mol
Molecular Formula C16H13N3O4S
Exact Mass 343.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbTBNNRGHd1
Name Benzyl [(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate
Alternate Name(s) (phenylmethyl) 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid (phenylmethyl) ester 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid benzyl ester Acetic acid, 2-(5-nitro-2-benzimidazolyl)thio-, benzyl ester benzyl 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate
CAS Registry Number 349445-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3O4S
InChI InChI=1S/C16H13N3O4S/c20-15(23-9-11-4-2-1-3-5-11)10-24-16-17-13-7-6-12(19(21)22)8-14(13)18-16/h1-8H,9-10H2,(H,17,18)
InChIKey UYBMMAGUGWXLQZ-UHFFFAOYSA-N
Molecular Weight 343.357 g/mol
SMILES [nH]1c2ccc(cc2nc1SCC(=O)OCc1ccccc1)N(=O)=O
SPLASH splash10-00kg-9800000000-fbacf7cbbadebe74c0a3
Source of Spectrum AD-0-2532-0
Wiley ID 1425053