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2-Adamantanecarboxylic acid, 4,8-dioxo-, isopropyl ester
SpectraBase Compound ID 810EiMfGrAl
InChI InChI=1S/C14H18O4/c1-6(2)18-14(17)11-9-4-7-3-8(13(9)16)5-10(11)12(7)15/h6-11H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKey XEOQQLNJGWFWJR-IMSYWVGJSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyUsLo8XEDW
Name 2-Adamantanecarboxylic acid, 4,8-dioxo-, isopropyl ester
Alternate Name(s) Isopropyl 4,8-dioxo-2-adamantanecarboxylate 4,8-Diketoadamantane-2-carboxylic acid isopropyl ester 4,8-Dioxo-2-adamantanecarboxylic acid propan-2-yl ester isopropyl 4,8-dioxoadamantane-2-carboxylate Propan-2-yl 4,8-bis(oxidanylidene)adamantane-2-carboxylate Propan-2-yl 4,8-dioxoadamantane-2-carboxylate
CAS Registry Number 15782-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-6(2)18-14(17)11-9-4-7-3-8(13(9)16)5-10(11)12(7)15/h6-11H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKey XEOQQLNJGWFWJR-IMSYWVGJSA-N
Molecular Weight 250.294 g/mol
SMILES C1([C@@]2(C[C@@]3(C([C@]1(C[C@](C2=O)(C3)[H])[H])=O)[H])[H])C(OC(C)C)=O
SPLASH splash10-052f-9620000000-7a26dd1c27635fddde27
Source of Spectrum EP-6362-0-0
Wiley ID 1253315