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Benzothiophene-2-carboxylic acid, 4-azidomethyl-3-chloro-, ethyl ester
SpectraBase Compound ID QSu3TXf1sB
InChI InChI=1S/C12H10ClN3O2S/c1-2-18-12(17)11-10(13)9-7(6-15-16-14)4-3-5-8(9)19-11/h3-5H,2,6H2,1H3
InChIKey ADCBHVHEHYNMEG-UHFFFAOYSA-N
Mol Weight 295.74 g/mol
Molecular Formula C12H10ClN3O2S
Exact Mass 295.018225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YKyUZWdT1p
Name Benzothiophene-2-carboxylic acid, 4-azidomethyl-3-chloro-, ethyl ester
CAS Registry Number 337468-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10ClN3O2S
InChI InChI=1S/C12H10ClN3O2S/c1-2-18-12(17)11-10(13)9-7(6-15-16-14)4-3-5-8(9)19-11/h3-5H,2,6H2,1H3
InChIKey ADCBHVHEHYNMEG-UHFFFAOYSA-N
Molecular Weight 295.744 g/mol
SMILES c1c2c(c(cc1)CN=[N+]=[N-])c(c(s2)C(OCC)=O)Cl
SPLASH splash10-0zg1-5970000000-1ce1d832ef332d6552c2
Source of Spectrum AD-0-2532-0
Synonyms 4-(azidomethyl)-3-chloro-1-benzothiophene-2-carboxylic acid ethyl ester 4-(azidomethyl)-3-chloro-benzothiophene-2-carboxylic acid ethyl ester Ethyl 4-(azidomethyl)-3-chloranyl-1-benzothiophene-2-carboxylate Ethyl 4-(azidomethyl)-3-chloro-1-benzothiophene-2-carboxylate Ethyl 4-(azidomethyl)-3-chloro-benzothiophene-2-carboxylate
Wiley ID 1425942