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Gradifloric acid
SpectraBase Compound ID G5CXy1ypKZ8
InChI InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)
InChIKey GVGJRXSJJHLPGZ-UHFFFAOYSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BlxZuMuuMq
Name Gradifloric acid
CAS Registry Number 22338-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)
InChIKey GVGJRXSJJHLPGZ-UHFFFAOYSA-N
Molecular Weight 318.457 g/mol
SMILES OC1C23C(C4(C(C(C(=O)O)(CCC4)C)CC2)C)CCC(C1=C)C3
SPLASH splash10-0gw0-0094000000-15c7997b603805b82cdc
Source of Spectrum F-33-2454-0
Synonyms Grandifloric acid CCRIS 1516 NSC 332872
Wiley ID 1318765