| SpectraBase Spectrum ID |
Gni80AGL9Cg |
| Name |
Benzo[D][1,3]dioxol-5-yl(2-chlorocyclohept-1-enyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.070972040 u |
| Formula |
C15H15ClO3 |
| InChI |
InChI=1S/C15H15ClO3/c16-12-5-3-1-2-4-11(12)15(17)10-6-7-13-14(8-10)19-9-18-13/h6-8H,1-5,9H2 |
| InChIKey |
GZNRIYYEMZIFCS-UHFFFAOYSA-N |
| Molecular Weight |
278.735 g/mol |
| SMILES |
C12=CC=C(C(C3=C(CCCCC3)Cl)=O)C=C1OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80203 |
![Benzo[D][1,3]dioxol-5-yl(2-chlorocyclohept-1-enyl)methanone](/api/spectrum/Gni80AGL9Cg/structure.png?h=300&w=458 "Benzo[D][1,3]dioxol-5-yl(2-chlorocyclohept-1-enyl)methanone")
