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Tetracyclo[4.3.1.1(2,5).0(7,9)]undec-3-en-10-one, 11-(acetyloxy)-8-chloro-
SpectraBase Compound ID JUA5hoE6S35
InChI InChI=1S/C13H13ClO3/c1-4(15)17-13-5-2-3-6(13)8-10-9(11(10)14)7(5)12(8)16/h2-3,5-11,13H,1H3/t5-,6+,7+,8-,9?,10?,11?,13?
InChIKey LMCNHWFLQVMAMF-DAMFZWOJSA-N
Mol Weight 252.7 g/mol
Molecular Formula C13H13ClO3
Exact Mass 252.055322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4IYjwS7hIO
Name Tetracyclo[4.3.1.1(2,5).0(7,9)]undec-3-en-10-one, 11-(acetyloxy)-8-chloro-
CAS Registry Number 78630-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3
InChI InChI=1S/C13H13ClO3/c1-4(15)17-13-5-2-3-6(13)8-10-9(11(10)14)7(5)12(8)16/h2-3,5-11,13H,1H3/t5-,6+,7+,8-,9?,10?,11?,13?
InChIKey LMCNHWFLQVMAMF-DAMFZWOJSA-N
Molecular Weight 252.697 g/mol
SMILES C12C([C@]3([C@]4(C([C@@]([C@@]2(C3=O)[H])(C=C4)[H])OC(=O)C)[H])[H])C1Cl
SPLASH splash10-05ru-9810000000-1efcbe5104f65ca6ed13
Source of Spectrum H-64-1011-0
Synonyms 8-Chloro-10-oxotetracyclo[4.3.1.1(2,5).0(7,9)]undec-3-en-11-yl acetate [anti(10,11),syn(8,10)-8.sigma.-chloro-10-oxotetracyclo[4.3.1.1(2,5).0(7.9)]undec-3-en-11endo-yl]ester of acetic acid
Wiley ID 1255279