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Tricyclo[3.2.1.02,4]octane, 3-(1,1-dimethylethoxy)-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID 13sxLfVru62
InChI InChI=1S/C12H20O/c1-12(2,3)13-11-9-7-4-5-8(6-7)10(9)11/h7-11H,4-6H2,1-3H3/t7-,8+,9-,10+,11-
InChIKey BBASGJBQIADBSK-HQUNYVMJSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxnbyvRxJ2m
Name Tricyclo[3.2.1.02,4]octane, 3-(1,1-dimethylethoxy)-, (1.alpha.,2.beta.,3.alpha.,4.beta.,5.alpha.)-
CAS Registry Number 58519-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-12(2,3)13-11-9-7-4-5-8(6-7)10(9)11/h7-11H,4-6H2,1-3H3/t7-,8+,9-,10+,11-
InChIKey BBASGJBQIADBSK-HQUNYVMJSA-N
Molecular Weight 180.291 g/mol
SMILES [C@@]12([C@]([C@@]3([H])C[C@@]2(CC3)[H])([H])[C@]1(OC(C)(C)C)[H])[H]
SPLASH splash10-0abc-9000000000-eac7e1c0af1b587bf304
Source of Spectrum K-109-351-0
Synonyms (1R,2R,4S,5S)-3-tert-butoxytricyclo[3.2.1.0(2,4)]octane Mixture of:3-syn-tert-butoxy-exo-tricyclo[3.2.1.0(2,4)]octane and 3-anti-tert-butoxy-exo-tricyclo[3.2.1.0(2,4)]octane tert-Butyl (1R,2R,4S,5S)-tricyclo[3.2.1.0(2,4)]oct-3-yl ether
Wiley ID 1176845