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(1S,2R,6S)-4-(3-methylbut-3-en-1-yn-1-yl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl 2-chloroacetate
SpectraBase Compound ID 90lKxdUdHBA
InChI InChI=1S/C13H11ClO4/c1-7(2)3-4-8-5-9(17-10(15)6-14)12-13(18-12)11(8)16/h5,9,12-13H,1,6H2,2H3/t9-,12+,13-/m1/s1
InChIKey ILBXRHFBDGIEPK-JIMOISOXSA-N
Mol Weight 266.68 g/mol
Molecular Formula C13H11ClO4
Exact Mass 266.034587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EREHKUcbMAL
Name (1S,2R,6S)-4-(3-methylbut-3-en-1-yn-1-yl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl 2-chloroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClO4
InChI InChI=1S/C13H11ClO4/c1-7(2)3-4-8-5-9(17-10(15)6-14)12-13(18-12)11(8)16/h5,9,12-13H,1,6H2,2H3/t9-,12+,13-/m1/s1
InChIKey ILBXRHFBDGIEPK-JIMOISOXSA-N
Literature Reference DOI 10.1021/ol9016657
Molecular Weight 266.680 g/mol
SMILES [C@@]1(C=C(C([C@@]2([C@]1(O2)[H])[H])=O)C#CC(=C)C)(OC(CCl)=O)[H]
SPLASH splash10-0403-4940000000-d472a10c3b993e76d5da
Source of Spectrum A1-11-4290/SMS13-29
Wiley ID 1757405