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5-Oxatetracyclo[6.3.1.0(2,6).0(4,10)]dodec-7-yl acetate

View entire compound with spectra: 1 MS (GC)

5-Oxatetracyclo[6.3.1.0(2,6).0(4,10)]dodec-7-yl acetate
SpectraBase Compound ID FVJbCgG44fc
InChI InChI=1S/C13H18O3/c1-6(14)15-12-9-3-7-2-8(4-9)11-5-10(7)13(12)16-11/h7-13H,2-5H2,1H3/t7-,8+,9-,10-,11+,12-,13-/m1/s1
InChIKey XBQNOBWNVNUATK-UHFFFAOYSA-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 JujUUM3j6em
Name 5-Oxatetracyclo[6.3.1.0(2,6).0(4,10)]dodec-7-yl acetate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-6(14)15-12-9-3-7-2-8(4-9)11-5-10(7)13(12)16-11/h7-13H,2-5H2,1H3/t7-,8+,9-,10-,11+,12-,13-/m1/s1
InChIKey XBQNOBWNVNUATK-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES [C@@]12([C@]([C@]3([C@]4([C@@](C2)(C[C@@](C1)([C@](C4)(O3)[H])[H])[H])[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-01ox-9600000000-453e3973d44a67e00b3e
Wiley ID 1488068