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Spiro[bicyclo[2.2.1]hept-5-ene-2,4'-[1,3]dioxolan]-5'-one, 2'-(1,1-dimethylethyl)-, [1R-[1.alpha.,2.beta.(S*),4.alpha.]]-
SpectraBase Compound ID JPPCstk8b2U
InChI InChI=1S/C13H18O3/c1-12(2,3)11-15-10(14)13(16-11)7-8-4-5-9(13)6-8/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9+,11+,13+/m0/s1
InChIKey FYQOJIXQLOGAAT-SEMCEJNYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6GnyQiqIw5
Name Spiro[bicyclo[2.2.1]hept-5-ene-2,4'-[1,3]dioxolan]-5'-one, 2'-(1,1-dimethylethyl)-, [1R-[1.alpha.,2.beta.(S*),4.alpha.]]-
Alternate Name(s) (1R,2R,4R,5'S)-5'-tert-butylspiro[bicyclo[2.2.1]heptane-2,2'-[1,4]dioxolan]-5-en-3'-one
CAS Registry Number 116635-38-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-12(2,3)11-15-10(14)13(16-11)7-8-4-5-9(13)6-8/h4-5,8-9,11H,6-7H2,1-3H3/t8-,9+,11+,13+/m0/s1
InChIKey FYQOJIXQLOGAAT-SEMCEJNYSA-N
Molecular Weight 222.284 g/mol
SMILES [C@]12(C(O[C@](O2)(C(C)(C)C)[H])=O)[C@@]2(C=C[C@@](C1)([H])C2)[H]
SPLASH splash10-014i-9000000000-0e87574d717a5144f2fe
Source of Spectrum K-122-330-4
Wiley ID 1222625