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Isopropyl 2-phenyl-4-(2-oxocyclopentylidene)pent-3-enoate

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

Isopropyl 2-phenyl-4-(2-oxocyclopentylidene)pent-3-enoate
SpectraBase Compound ID LxYU2wAfG5S
InChI InChI=1S/C19H24O3/c1-13(2)22-19(21)17(15-8-5-4-6-9-15)12-14(3)16-10-7-11-18(16)20/h4-6,8-9,13,17H,7,10-12H2,1-3H3/b16-14-
InChIKey PJMQTNDEPNXZOA-PEZBUJJGSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lah2SCARQt
Name Isopropyl 2-phenyl-4-(2-oxocyclopentylidene)pent-3-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.172544630 u
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-13(2)22-19(21)17(15-8-5-4-6-9-15)12-14(3)16-10-7-11-18(16)20/h4-6,8-9,13,17H,7,10-12H2,1-3H3/b16-14-
InChIKey PJMQTNDEPNXZOA-PEZBUJJGSA-N
SMILES C(C(C\C(=C/1C(=O)CCC1)C)C1=CC=CC=C1)(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81391