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cis-Maneonene-A
SpectraBase Compound ID Hyf9BQNWQnC
InChI InChI=1S/C15H16BrClO2/c1-3-5-6-9(17)12-10-7-11-15(18-10)13(12)14(19-11)8(16)4-2/h1,5-6,9-13,15H,4,7H2,2H3/b6-5+,14-8+/t9?,10-,11-,12?,13-,15+/m1/s1
InChIKey AYFFHUILZXJDLN-LBFIIZTHSA-N
Mol Weight 343.65 g/mol
Molecular Formula C15H16BrClO2
Exact Mass 342.00222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6G5pupNOj0k
Name cis-Maneonene-A
CAS Registry Number 61688-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16BrClO2
InChI InChI=1S/C15H16BrClO2/c1-3-5-6-9(17)12-10-7-11-15(18-10)13(12)14(19-11)8(16)4-2/h1,5-6,9-13,15H,4,7H2,2H3/b6-5+,14-8+/t9?,10-,11-,12?,13-,15+/m1/s1
InChIKey AYFFHUILZXJDLN-LBFIIZTHSA-N
Molecular Weight 343.648 g/mol
SMILES [C@@]12(\C(O[C@@]3(C[C@@](O[C@]23[H])(C1C(\C=C\C#C)Cl)[H])[H])=C\(Br)CC)[H]
SPLASH splash10-0pvi-9400000000-8d104253f48dee12bfd6
Source of Spectrum J-43-3201-0
Synonyms cis-Maneonene-C trans-Maneonene-B (5E)-5-(1-bromopropylidene)-9-[(2E)-1-chloro-2-penten-4-ynyl]-4,8-dioxatricyclo[4.2.1.0(3,7)]nonane
Wiley ID 1336282