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Isoimperatorin
SpectraBase Compound ID HTSACuQSgW9
InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
InChIKey IGWDEVSBEKYORK-UHFFFAOYSA-N
Mol Weight 270.28 g/mol
Molecular Formula C16H14O4
Exact Mass 270.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PD4pI3Au6w
Name Isoimperatorin
Carrier Gas Helium (2.0 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.089208927 u
Formula C16H14O4
GC Column DB-5MS (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3
InChIKey IGWDEVSBEKYORK-UHFFFAOYSA-N
Inlet Type Split (50:1)
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800325
SMILES C12=C(C3=C(C=C2OC(C=C1)=O)OC=C3)OCC=C(C)C
SPLASH splash10-00lr-0290000000-3e35d8877a02e7b084a7
Source of Spectrum SEP-31-3222-IO (DOI: 10.1002/jssc.200800325)
Wiley ID 1907962