| SpectraBase Spectrum ID |
4XQM5fPQY01 |
| Name |
1,4-2H-Naphthalene-1,4-dione, 2-chloro-3-[2-isopentenyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.060407357 u |
| Formula |
C15H13ClO2 |
| InChI |
InChI=1S/C15H13ClO2/c1-9(2)7-8-12-13(16)15(18)11-6-4-3-5-10(11)14(12)17/h3-7H,8H2,1-2H3 |
| InChIKey |
GTIOUUQHWVNUFO-UHFFFAOYSA-N |
| Molecular Weight |
260.720 g/mol |
| SMILES |
C1=CC=C2C(=C1)C(C(=C(C2=O)CC=C(C)C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844347 |
![1,4-2H-Naphthalene-1,4-dione, 2-chloro-3-[2-isopentenyl]-](/api/spectrum/4XQM5fPQY01/structure.png?h=300&w=458 "1,4-2H-Naphthalene-1,4-dione, 2-chloro-3-[2-isopentenyl]-")
