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Isopimpinellin
SpectraBase Compound ID 6NPEEkAIod1
InChI InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKey DFMAXQKDIGCMTL-UHFFFAOYSA-N
Mol Weight 246.22 g/mol
Molecular Formula C13H10O5
Exact Mass 246.052823 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9cYBf9MUaWH
Name Isopimpinellin
Source of Sample Cayman Chemical Company
Catalog Number 34642
Lot Number 0620768-1
Accessory DurasamplIR II
CAS Registry Number 482-27-9
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.052823417 u
Formula C13H10O5
InChI InChI=1S/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3
InChIKey DFMAXQKDIGCMTL-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 246.218 g/mol
Purity ≥98%
Resolution 4
SMILES C1(C=CC=2C(O1)=C(C1=C(C2OC)C=CO1)OC)=O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 4,9-dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one NSC 217988 NSC 401288
Technique ATR-Neat