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2C-I-m 3ac P1550
SpectraBase Compound ID CrDUZ8xQSD7
InChI InChI=1S/C15H17IO7/c1-8(17)21-7-15(23-10(3)19)11-5-14(22-9(2)18)12(16)6-13(11)20-4/h5-6,15H,7H2,1-4H3
InChIKey ZRHOOYQMGBOXRP-UHFFFAOYSA-N
Mol Weight 436.2 g/mol
Molecular Formula C15H17IO7
Exact Mass 436.001898 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3ai7S8Ie3Ih
Name 2C-I-m 3ac P1550
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.001897880 u
Formula C15H17IO7
InChI InChI=1S/C15H17IO7/c1-8(17)21-7-15(23-10(3)19)11-5-14(22-9(2)18)12(16)6-13(11)20-4/h5-6,15H,7H2,1-4H3
InChIKey ZRHOOYQMGBOXRP-UHFFFAOYSA-N
Molecular Weight 436.198 g/mol
SMILES C1(=C(C=C(OC)C(=C1)C(COC(=O)C)OC(=O)C)I)OC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90972