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 |