| CAS Number: 177032-11-0 ethyl 4-methylthiophene-3-carboxylate |
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| General Information | ||||||
| Product Number: 177032110
CAS Registry Number: 177032-11-0
Name:
3-Thiophenecarboxylic acid, 4-methyl-, ethyl ester
Chemical Formula: C8H10O2S
Exact Mass: 170.04
Molecular Weight: 170.23
m/z: 170.04 (100.0%), 171.04 (9.5%), 172.04 (5.0%)
Elemental Analysis: C, 56.44; H, 5.92; O, 18.80; S, 18.84
InChI: InChI=1S/C19H21N7S/c1-3-25(4-2)13-10-8-12(9-11-13)18-24-26-17(22-23-19(26)27-18)16-14-6-5-7-15(14)20-21-16/h8-11H,3-7H2,1-2H3,(H,20,21)
InChIKey: IHNSNLDESXQRAG-UHFFFAOYSA-N
Canonical SMILES : CCN(CC)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5
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Specification |
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98% |
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| References | ||||||
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