SpectraBase Spectrum ID |
FGPcbYcHMC |
Name |
1A-o-Ethyl 2-o-methyl 3,7B-dihydro-1H-cyclopropa[C]isoquinoline-1A,2-dicarboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.115758027 u |
Formula |
C15H17NO4 |
InChI |
InChI=1S/C15H17NO4/c1-3-20-13(17)15-8-12(15)11-7-5-4-6-10(11)9-16(15)14(18)19-2/h4-7,12H,3,8-9H2,1-2H3 |
InChIKey |
WWMGFZPRPBSTCQ-UHFFFAOYSA-N |
SMILES |
C12(N(C(=O)OC)CC3=C(C2C1)C=CC=C3)C(=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827268 |