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1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]butyl ester

View entire compound with spectra: 2 MS (GC)

1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid 3-[oxo-(1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptan-4-yl)methoxy]butyl ester
SpectraBase Compound ID AhSP9NFH5jW
InChI InChI=1S/C24H34O8/c1-14(30-18(28)24-12-10-22(7,16(26)32-24)20(24,4)5)8-13-29-17(27)23-11-9-21(6,15(25)31-23)19(23,2)3/h14H,8-13H2,1-7H3/t14?,21-,22+,23+,24-/m1/s1
InChIKey KAUBRTMFQQFGCE-ZURUABQWSA-N
Mol Weight 450.5 g/mol
Molecular Formula C24H34O8
Exact Mass 450.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IA09grr7eqB
Name 2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID, 4,7,7-TRIMETHYL-3-OXO-, 1-METHYL-1,3-PROPANEDIYL ESTER, [1S-[1alpha[S*(1R*,4S*)],4.B
Alternate Name(s) 2-OXABICYCLO[2.2.1]HEPTANE-1-CARBOXYLIC ACID, 4,7,7-TRIMETHYL-3-OXO-, 1-METHYL-1,3-PROPANEDIYL ESTER, [1S-[1alpha[S*(1R*,4S*)],4beta ]]-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H34O8
InChI InChI=1S/C24H34O8/c1-14(30-18(28)24-12-10-22(7,16(26)32-24)20(24,4)5)8-13-29-17(27)23-11-9-21(6,15(25)31-23)19(23,2)3/h14H,8-13H2,1-7H3/t14?,21-,22+,23+,24-/m1/s1
InChIKey KAUBRTMFQQFGCE-ZURUABQWSA-N
Molecular Weight 450.2244
SMILES C1(=O)[C@]2(C(C)(C)[C@](C(OC(C)CCOC(=O)[C@]34CC[C@](C4(C)C)(C)C(O3)=O)=O)(CC2)O1)C
SPLASH splash10-0a59-9710100000-0298712e35ed62ad7b22
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany