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4-(3-Isocoumarinyl)-3-oxo-butanoic acid, tert-butyl ester
SpectraBase Compound ID 6r5RAstEhMg
InChI InChI=1S/C17H18O5/c1-17(2,3)22-15(19)10-12(18)9-13-8-11-6-4-5-7-14(11)16(20)21-13/h4-8H,9-10H2,1-3H3
InChIKey XPTKUCVDGWAFBK-UHFFFAOYSA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYLb2XQYvG6
Name 3-keto-4-(1-ketoisochromen-3-yl)butyric acid tert-butyl ester
CAS Registry Number 115731-82-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-17(2,3)22-15(19)10-12(18)9-13-8-11-6-4-5-7-14(11)16(20)21-13/h4-8H,9-10H2,1-3H3
InChIKey XPTKUCVDGWAFBK-UHFFFAOYSA-N
Molecular Weight 302.326 g/mol
SMILES C1(OC(CC(CC(OC(C)(C)C)=O)=O)=Cc2c1cccc2)=O
SPLASH splash10-08g0-6920000000-6b0674c8e0da22deb1b7
Source of Spectrum C-110-6184-9
Synonyms 3-Oxo-4-(1-oxo-2-benzopyran-3-yl)butanoic acid tert-butyl ester tert-Butyl 3-oxidanylidene-4-(1-oxidanylideneisochromen-3-yl)butanoate tert-Butyl 3-oxo-4-(1-oxoisochromen-3-yl)butanoate
Wiley ID 1304656