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3,4-Di-n-propyl-1H-isochromen-1-one-5,6,7,8-D4
SpectraBase Compound ID 9Fn4UsE7xAI
InChI InChI=1S/C15H18O2/c1-3-7-12-11-9-5-6-10-13(11)15(16)17-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/i5D,6D,9D,10D
InChIKey OTMLDYWCGONESA-GOOBIQQWSA-N
Mol Weight 234.33 g/mol
Molecular Formula C15H14D4O2
Exact Mass 234.155787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAmgBp7OVIV
Name 3,4-Di-n-propyl-1H-isochromen-1-one-5,6,7,8-D4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14D4O2
InChI InChI=1S/C15H18O2/c1-3-7-12-11-9-5-6-10-13(11)15(16)17-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3/i5D,6D,9D,10D
InChIKey OTMLDYWCGONESA-GOOBIQQWSA-N
Literature Reference DOI 10.1002/anie.201500600
Molecular Weight 234.331 g/mol
SMILES c1(c(c(c2c(c1[D])C(OC(CCC)=C2CCC)=O)[D])[D])[D]
SPLASH splash10-0a4r-2890000000-782da75637f1e5862635
Source of Spectrum ACI-54-5513/SMS41-[D4]_3dc
Wiley ID 1761189