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12-Oxatetracyclo[5.2.1.1(2,6).1(8,11)]dodecan-3-ol-10-one acetate

View entire compound with spectra: 2 MS (GC)

12-Oxatetracyclo[5.2.1.1(2,6).1(8,11)]dodecan-3-ol-10-one acetate
SpectraBase Compound ID HO8DtMUOA6K
InChI InChI=1S/C13H16O4/c1-5(14)16-8-3-2-6-10-9-4-7(12(10)15)11(8)13(6)17-9/h6-11,13H,2-4H2,1H3/t6-,7+,8-,9+,10+,11-,13+/m1/s1
InChIKey NENWVZHCBRHHLW-PUEFECCVSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBsk4ZAFCB0
Name 12-Oxatetracyclo[5.2.1.1(2,6).1(8,11)]dodecan-3-ol-10-one acetate
CAS Registry Number 78630-78-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-5(14)16-8-3-2-6-10-9-4-7(12(10)15)11(8)13(6)17-9/h6-11,13H,2-4H2,1H3/t6-,7+,8-,9+,10+,11-,13+/m1/s1
InChIKey NENWVZHCBRHHLW-PUEFECCVSA-N
Molecular Weight 236.267 g/mol
SMILES [C@]12([C@@]3(CC[C@]([C@]2([C@@]2(C[C@@]([C@]3(C2=O)[H])(O1)[H])[H])[H])(OC(=O)C)[H])[H])[H]
SPLASH splash10-005d-5900000000-2f2c44c5c19f690ea758
Wiley ID 1480746