![ethyl 2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate](/api/spectrum/Nh0qnrD5kc/structure.png?h=300&w=458 "ethyl 2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate")
| SpectraBase Compound ID | HFqyMQjkBWZ |
|---|---|
| InChI | InChI=1S/C14H16F3NO3S/c1-2-21-12(19)10-8-6-4-3-5-7-9(8)22-11(10)18-13(20)14(15,16)17/h2-7H2,1H3,(H,18,20) |
| InChIKey | VQYQMDALBLMRNW-UHFFFAOYSA-N |
| Mol Weight | 335.34 g/mol |
| Molecular Formula | C14H16F3NO3S |
| Exact Mass | 335.080299 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Nh0qnrD5kc |
|---|---|
| Name | Ethyl 2-[(trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| CAS Registry Number | 303138-09-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16F3NO3S |
| InChI | InChI=1S/C14H16F3NO3S/c1-2-21-12(19)10-8-6-4-3-5-7-9(8)22-11(10)18-13(20)14(15,16)17/h2-7H2,1H3,(H,18,20) |
| InChIKey | VQYQMDALBLMRNW-UHFFFAOYSA-N |
| Molecular Weight | 335.341 g/mol |
| SMILES | N(C(=O)C(F)(F)F)c1sc2c(CCCCC2)c1C(OCC)=O |
| SPLASH | splash10-0079-6891000000-d810efe37510e15f816d |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 2-[(2,2,2-trifluoro-1-oxoethyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester 2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-trifluoroacetylamino-, ethyl ester Ethyl 2-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Ethyl 2-[2,2,2-tris(fluoranyl)ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Wiley ID | 1426667 |