| SpectraBase Spectrum ID |
4FPi6WJMXg |
| Name |
(E)-3-[2-[(E)-3-Tert-butoxy-3-keto-prop-1-enyl]cyclohepten-1-yl]acrylic acid tert-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-20(2,3)24-18(22)14-12-16-10-8-7-9-11-17(16)13-15-19(23)25-21(4,5)6/h12-15H,7-11H2,1-6H3/b14-12+,15-13+ |
| InChIKey |
BEADAQIWIRMXBA-QUMQEAAQSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
C1(=C(\C=C\C(OC(C)(C)C)=O)CCCCC1)\C=C\C(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972511 |
![(E)-3-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]cyclohepten-1-yl]acrylic acid tert-butyl ester](/api/spectrum/4FPi6WJMXg/structure.png?h=300&w=458 "(E)-3-[2-[(E)-3-tert-butoxy-3-keto-prop-1-enyl]cyclohepten-1-yl]acrylic acid tert-butyl ester")
