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1,3,5,7-Adamantanetetracarboxylic acid

View entire compound with spectra: 2 MS (GC)

1,3,5,7-Adamantanetetracarboxylic acid
SpectraBase Compound ID E8k67SlWTtw
InChI InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t11-,12+,13-,14+
InChIKey VWAIZPYLEYEEFK-KPWCQOOUSA-N
Mol Weight 312.27 g/mol
Molecular Formula C14H16O8
Exact Mass 312.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBxp8pK8ra0
Name 1,3,5,7-Adamantanetetracarboxylic acid
Alternate Name(s) Adamantane-1,3,5,7-tetracarboxylic acid
CAS Registry Number 100884-80-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O8
InChI InChI=1S/C14H16O8/c15-7(16)11-1-12(8(17)18)4-13(2-11,9(19)20)6-14(3-11,5-12)10(21)22/h1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t11-,12+,13-,14+
InChIKey VWAIZPYLEYEEFK-KPWCQOOUSA-N
Molecular Weight 312.274 g/mol
SMILES OC(C12CC3(CC(C(O)=O)(C2)CC(C1)(C3)C(=O)O)C(=O)O)=O
SPLASH splash10-014i-5690000000-d791759f3ffaeec0eadc
Wiley ID 1475530