| SpectraBase Spectrum ID |
SzuaCMSCRb |
| Name |
2-Propynyl 2-(Di-t-butylmethylene)-2-(p-nitrophenyl)thiirane-2-carboxylate |
| Alternate Name(s) |
2-propynyl 3-(1-tert-butyl-2,2-dimethylpropylidene)-2-(4-nitrophenyl)-2-thiiranecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO4S |
| InChI |
InChI=1S/C21H25NO4S/c1-8-13-26-18(23)21(14-9-11-15(12-10-14)22(24)25)17(27-21)16(19(2,3)4)20(5,6)7/h1,9-12H,13H2,2-7H3 |
| InChIKey |
QYNNJHPCCCDNQE-UHFFFAOYSA-N |
| Molecular Weight |
387.494 g/mol |
| SMILES |
C1(C(=C(C(C)(C)C)C(C)(C)C)S1)(C(=O)OCC#C)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-000f-0096000000-3f237c5bd69810a3ac00 |
| Source of Spectrum |
AJ-68-1398-11 |
| Wiley ID |
773312 |
