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12-Methyl-3,7-dioxopodocarpa-8,11,13-triene-13-carboxylic acid
SpectraBase Compound ID FK1lnwy2X1w
InChI InChI=1S/C19H22O4/c1-10-7-13-12(8-11(10)17(22)23)14(20)9-15-18(2,3)16(21)5-6-19(13,15)4/h7-8,15H,5-6,9H2,1-4H3,(H,22,23)/t15?,19-/m1/s1
InChIKey NWRPENOOCXAGDV-XCWJXAQQSA-N
Mol Weight 314.38 g/mol
Molecular Formula C19H22O4
Exact Mass 314.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rOCKBm0rUx
Name 12-Methyl-3,7-dioxopodocarpa-8,11,13-triene-13-carboxylic acid
Alternate Name(s) Margolonone
CAS Registry Number 120092-49-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O4
InChI InChI=1S/C19H22O4/c1-10-7-13-12(8-11(10)17(22)23)14(20)9-15-18(2,3)16(21)5-6-19(13,15)4/h7-8,15H,5-6,9H2,1-4H3,(H,22,23)/t15?,19-/m1/s1
InChIKey NWRPENOOCXAGDV-XCWJXAQQSA-N
Molecular Weight 314.381 g/mol
SMILES OC(c1c(cc2[C@@]3(C(C(C)(C)C(CC3)=O)CC(=O)c2c1)C)C)=O
SPLASH splash10-0a4i-9300000000-096f76ce26166ccb5ebc
Source of Spectrum KC-1989-345-2
Wiley ID 1315252