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Tricyclo[5.3.1.1(2,6)]dodec-8-en-11-one, 12-(acetyloxy)-9-chloro-, (1.alpha.,2.beta.,6.beta.,7.alpha.,12S*)-
SpectraBase Compound ID 4CLiCQCDmM6
InChI InChI=1S/C14H17ClO3/c1-7(16)18-14-9-3-2-4-10(14)12-6-8(15)5-11(9)13(12)17/h5,9-12,14H,2-4,6H2,1H3/t9-,10+,11-,12+,14+/m0/s1
InChIKey MLDVDPCYVSVQEH-SVPLCASGSA-N
Mol Weight 268.74 g/mol
Molecular Formula C14H17ClO3
Exact Mass 268.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID t9eSgxfKsT
Name Tricyclo[5.3.1.1(2,6)]dodec-8-en-11-one, 12-(acetyloxy)-9-chloro-, (1.alpha.,2.beta.,6.beta.,7.alpha.,12S*)-
Alternate Name(s) (1S,2R,6R,7R,11S)-4-chloro-12-oxotricyclo[5.3.1.1(2,6)]dodec-3-en-11-yl acetate [11anti,12-4-chloro-12-oxotricyclo[5.3.1.1(2,6)]dodec-3-en-11endo-yl]ester of acetic acid
CAS Registry Number 83098-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClO3
InChI InChI=1S/C14H17ClO3/c1-7(16)18-14-9-3-2-4-10(14)12-6-8(15)5-11(9)13(12)17/h5,9-12,14H,2-4,6H2,1H3/t9-,10+,11-,12+,14+/m0/s1
InChIKey MLDVDPCYVSVQEH-SVPLCASGSA-N
Molecular Weight 268.740 g/mol
SMILES [C@]12(C([C@]([H])(CC(=C2)Cl)[C@@]2([C@@]([C@]1(CCC2)[H])(OC(=O)C)[H])[H])=O)[H]
SPLASH splash10-000y-9210000000-3f45a142b11da1c57075
Source of Spectrum H-65-1016-0
Wiley ID 1271965