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3-Isopropyl-9-oxo-2,8-dioxa-trans-bicyclo[5.4.0]undecane-1,3-cis-lactone
SpectraBase Compound ID A8wXKisXsNT
InChI InChI=1S/C12H20O3/c1-8(2)9-4-3-5-10-11(14-9)6-7-12(13)15-10/h8-11H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey DMKMVWQJPNLHIH-HBNTYKKESA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XxvngjASXi
Name 3-Isopropyl-9-oxo-2,8-dioxa-trans-bicyclo[5.4.0]undecane-1,3-cis-lactone
Alternate Name(s) (4aR,6S)-6-isopropyloctahydro-2H-pyrano[3,2-b]oxepin-2-one 3-Isopropyl-9-oxo-2,8-dioxa-(cis)-bicyclo[5.4.0]undecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(2)9-4-3-5-10-11(14-9)6-7-12(13)15-10/h8-11H,3-7H2,1-2H3/t9-,10+,11+/m0/s1
InChIKey DMKMVWQJPNLHIH-HBNTYKKESA-N
Molecular Weight 212.289 g/mol
SMILES [C@]12(O[C@@](CCC[C@]2(OC(CC1)=O)[H])(C(C)C)[H])[H]
SPLASH splash10-0a5l-9100000000-59f7e0f6041f12a97d9a
Source of Spectrum Y2-25-106-28
Wiley ID 1547134