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(1'S,10'S,11'S,16'S)-10'-Chloro-4',7'-dioxatetracyclo[8.6.0.0(1',11').0(3',8')]hexadec-3'(8')-en-16'-yl acetate
SpectraBase Compound ID 9MoQ6zOx0KR
InChI InChI=1S/C16H21ClO4/c1-10(18)21-14-5-3-2-4-13-15(14)8-11-12(9-16(13,15)17)20-7-6-19-11/h13-14H,2-9H2,1H3/t13-,14-,15-,16-/m0/s1
InChIKey ZTGDODDEJFZKES-VGWMRTNUSA-N
Mol Weight 312.79 g/mol
Molecular Formula C16H21ClO4
Exact Mass 312.112837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BucY69bZ0pZ
Name (1'S,10'S,11'S,16'S)-10'-Chloro-4',7'-dioxatetracyclo[8.6.0.0(1',11').0(3',8')]hexadec-3'(8')-en-16'-yl acetate
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Formula C16H21ClO4
InChI InChI=1S/C16H21ClO4/c1-10(18)21-14-5-3-2-4-13-15(14)8-11-12(9-16(13,15)17)20-7-6-19-11/h13-14H,2-9H2,1H3/t13-,14-,15-,16-/m0/s1
InChIKey ZTGDODDEJFZKES-VGWMRTNUSA-N
Molecular Weight 312.793 g/mol
SMILES [C@@]123[C@@](CC4=C(C3)OCCO4)(Cl)[C@]2(CCCC[C@@]1(OC(=O)C)[H])[H]
SPLASH splash10-00kb-0890000000-bcd88582a1baaafc34a2
Source of Spectrum KC-1993-961-61
Synonyms (1S,5aS,5bS,11aS)-5b-chloro-2,3,4,5,5a,5b,6,8,9,11-decahydro-1H-cyclohepta[2,3]cyclopropa[1,2-g][1,4]benzodioxin-1-yl acetate
Wiley ID 779421