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(Tetrahydro-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'(3'H)-ylidene)-5-methyl-2-(1'-methyl-1'-phenylethyl)cyclohexyl acetate

View entire compound with spectra: 1 MS (GC)

(Tetrahydro-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'(3'H)-ylidene)-5-methyl-2-(1'-methyl-1'-phenylethyl)cyclohexyl acetate
SpectraBase Compound ID 3UgAoP9aBii
InChI InChI=1S/C31H44O4/c1-21-11-12-26(30(4,5)25-9-7-6-8-10-25)27(13-21)35-28(32)16-22-14-23-17-31(18-24(23)15-22)33-19-29(2,3)20-34-31/h6-10,16,21,23-24,26-27H,11-15,17-20H2,1-5H3/b22-16-/t21-,23-,24+,26-,27-/m1/s1
InChIKey VUMLIBPQDNMPPP-UJVOXAOWSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H44O4
Exact Mass 480.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hz0jZiGOm8R
Name (Tetrahydro-5,5-dimethylspiro[1,3-dioxane-2,2'-(1'H)-pentalen]-5'(3'H)-ylidene)-5-methyl-2-(1'-methyl-1'-phenylethyl)cyclohexyl acetate
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Formula C31H44O4
InChI InChI=1S/C31H44O4/c1-21-11-12-26(30(4,5)25-9-7-6-8-10-25)27(13-21)35-28(32)16-22-14-23-17-31(18-24(23)15-22)33-19-29(2,3)20-34-31/h6-10,16,21,23-24,26-27H,11-15,17-20H2,1-5H3/b22-16-/t21-,23-,24+,26-,27-/m1/s1
InChIKey VUMLIBPQDNMPPP-UJVOXAOWSA-N
Molecular Weight 480.689 g/mol
SMILES C12(OCC(CO2)(C)C)C[C@@]2(C\C(C[C@@]2(C1)[H])=C\C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)[H]
SPLASH splash10-014i-1910000000-d8521aa65bf718390f36
Source of Spectrum U-1997-2428-7
Synonyms (1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl 2-[(3'aR,6'aS)-5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ylidene]acetate
Wiley ID 820318