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3-Isopropyl-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
SpectraBase Compound ID JJnXYJWfZMs
InChI InChI=1S/C16H18O3/c1-9(2)11-7-13(17)15-10-5-4-6-14(18-3)16(10)19-8-12(11)15/h4-6,9,11H,7-8H2,1-3H3
InChIKey JBHFHAZSOLCOTB-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6e1RVDe81sW
Name 3-Isopropyl-6-methoxy-2,3-dihydrocyclopenta[c]chromen-1(4H)-one
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.125594437 u
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-9(2)11-7-13(17)15-10-5-4-6-14(18-3)16(10)19-8-12(11)15/h4-6,9,11H,7-8H2,1-3H3
InChIKey JBHFHAZSOLCOTB-UHFFFAOYSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 258.317 g/mol
Quality 112
Reported Formula C16H18O3
SMILES C12=C(C3=C(CO2)C(CC3=O)C(C)C)C=CC=C1OC
SPLASH splash10-0a4i-1090000000-5732a272799138335446
Source of Spectrum ACI-61-SM27-2w (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.4 (hexane/EtOAc, 5:1)
Wiley ID 1897936