![Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester](/api/spectrum/8WAom9MMFzL/structure.png?h=300&w=458 "Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester")
| SpectraBase Compound ID | 3scFwqDyIrq |
|---|---|
| InChI | InChI=1S/C22H21NO5/c1-16(2)21(24)27-14-4-3-13-26-19-11-7-18(8-12-19)22(25)28-20-9-5-17(15-23)6-10-20/h5-12H,1,3-4,13-14H2,2H3 |
| InChIKey | CXDJMTWJRNKNNU-UHFFFAOYSA-N |
| Mol Weight | 379.41 g/mol |
| Molecular Formula | C22H21NO5 |
| Exact Mass | 379.141973 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8WAom9MMFzL |
|---|---|
| Name | Benzoic acid, 4-[[(2-methyl-1-oxo-2-propenyl)oxy]butoxy]-,4-cyanophenyl ester |
| CAS Registry Number | 139624-07-0 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H21NO5 |
| InChI | InChI=1S/C22H21NO5/c1-16(2)21(24)27-14-4-3-13-26-19-11-7-18(8-12-19)22(25)28-20-9-5-17(15-23)6-10-20/h5-12H,1,3-4,13-14H2,2H3 |
| InChIKey | CXDJMTWJRNKNNU-UHFFFAOYSA-N |
| Instrument Name | Bruker IFS 88 C |
| Technique | KBr-Pellet |