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Cycloprothrin

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Cycloprothrin
SpectraBase Compound ID ChtGy87syat
InChI InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3
InChIKey CGTWCAVZZBLHQH-UHFFFAOYSA-N
Mol Weight 482.36 g/mol
Molecular Formula C26H21Cl2NO4
Exact Mass 481.084764 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWKTL9u2lRV
Name Cycloprothrin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.084763556 u
Formula C26H21Cl2NO4
InChI InChI=1S/C26H21Cl2NO4/c1-2-31-20-13-11-19(12-14-20)25(17-26(25,27)28)24(30)33-23(16-29)18-7-6-10-22(15-18)32-21-8-4-3-5-9-21/h3-15,23H,2,17H2,1H3
InChIKey CGTWCAVZZBLHQH-UHFFFAOYSA-N
Molecular Weight 482.363 g/mol
SMILES C1(Cl)(CC1(C(OC(C1=CC=CC(=C1)OC=1C=CC=CC1)C#N)=O)C1=CC=C(C=C1)OCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936362