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Dimethyl [2'-(3""""-benzyloxycyclobutylidene)ethyl]malonate
SpectraBase Compound ID 2DJ5MBLwJjJ
InChI InChI=1S/C18H22O5/c1-21-17(19)16(18(20)22-2)9-8-14-10-15(11-14)23-12-13-6-4-3-5-7-13/h3-8,15-16H,9-12H2,1-2H3/b14-8-
InChIKey PELFANWSBMZAAC-ZSOIEALJSA-N
Mol Weight 318.37 g/mol
Molecular Formula C18H22O5
Exact Mass 318.146724 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6G2lWm4pnjq
Name Dimethyl [2'-(3""""-benzyloxycyclobutylidene)ethyl]malonate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.146723803 u
Formula C18H22O5
InChI InChI=1S/C18H22O5/c1-21-17(19)16(18(20)22-2)9-8-14-10-15(11-14)23-12-13-6-4-3-5-7-13/h3-8,15-16H,9-12H2,1-2H3/b14-8-
InChIKey PELFANWSBMZAAC-ZSOIEALJSA-N
Molecular Weight 318.369 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC=C1CC(C1)OCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961674