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3-Oxatricyclo[4.1.1.02,4]octan-2-ol, 4,7,7-trimethyl-, acetate, (1.alpha.,2.beta.,4.beta.,6.alpha.)-
SpectraBase Compound ID JD3AJddNTSp
InChI InChI=1S/C12H18O3/c1-7(13)14-12-9-5-8(10(9,2)3)6-11(12,4)15-12/h8-9H,5-6H2,1-4H3/t8-,9-,11-,12+/m1/s1
InChIKey GRTBTGPRHYLVQH-IQIPOGNMSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KI5bCBA3Hw
Name 3-Oxatricyclo[4.1.1.02,4]octan-2-ol, 4,7,7-trimethyl-, acetate, (1.alpha.,2.beta.,4.beta.,6.alpha.)-
CAS Registry Number 57022-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-7(13)14-12-9-5-8(10(9,2)3)6-11(12,4)15-12/h8-9H,5-6H2,1-4H3/t8-,9-,11-,12+/m1/s1
InChIKey GRTBTGPRHYLVQH-IQIPOGNMSA-N
Molecular Weight 210.273 g/mol
SMILES [C@@]12([C@](C[C@]3(C[C@@]2(C3(C)C)[H])[H])(C)O1)OC(=O)C
SPLASH splash10-0536-9200000000-70e1571f3c62fc169b19
Source of Spectrum I-53-746-0
Synonyms (1R,2R,4R,6R)-4,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]oct-2-yl acetate 2.beta.-acetoxy-3,6,6-trimethyl-2.alpha.,3.alpha.-epioxybicyclo[3.1.1]heptane
Wiley ID 1209186