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1-[(1-benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3-chloro-2-propanol
SpectraBase Compound ID 9OAsBAaNOKL
InChI InChI=1S/C14H16ClN3O3S/c1-10-16-13(18(20)21)14(22-9-12(19)7-15)17(10)8-11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3
InChIKey ZXIUPKJAIQGOLV-UHFFFAOYSA-N
Mol Weight 341.81 g/mol
Molecular Formula C14H16ClN3O3S
Exact Mass 341.06009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZTtRlcWFJL
Name 1-[(1-Benzyl-2-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-3-chloro-2-propanol
CAS Registry Number 115906-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClN3O3S
InChI InChI=1S/C14H16ClN3O3S/c1-10-16-13(18(20)21)14(22-9-12(19)7-15)17(10)8-11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3
InChIKey ZXIUPKJAIQGOLV-UHFFFAOYSA-N
Molecular Weight 341.813 g/mol
SMILES OC(CSc1c(nc(C)[n]1Cc1ccccc1)N(=O)=O)CCl
SPLASH splash10-0006-9100000000-93d2f0e174311f5535b3
Source of Spectrum AD-0-2532-0
Synonyms 1-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-chloro-propan-2-ol 1-Chloranyl-3-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-propan-2-ol 1-Chloro-3-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)-2-propanol 1-Chloro-3-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]-2-propanol 1-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]-3-chloro-propan-2-ol 2-Propanol, 1-chloro-3-((2-methyl-4-nitro-1-(phenylmethyl)-1H-imidazol-5-yl)thio)- Imidazole, 1-benzyl-5-(3-chloro-2-hydroxypropylthio)-2-methyl-4-nitro- BRN 5625688
Wiley ID 1425893