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(5S,6S,7S)-6,7-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one
SpectraBase Compound ID DLX2qFx6WBQ
InChI InChI=1S/C16H22O5/c1-4-5-6-11-12-8-15(20-9(2)17)16(21-10(3)18)13(12)7-14(11)19/h13,15-16H,4-8H2,1-3H3/t13-,15-,16-/m0/s1
InChIKey GCNZXDIGINPUTK-BPUTZDHNSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBLdyy9pzDT
Name (5S,6S,7S)-6,7-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-4-5-6-11-12-8-15(20-9(2)17)16(21-10(3)18)13(12)7-14(11)19/h13,15-16H,4-8H2,1-3H3/t13-,15-,16-/m0/s1
InChIKey GCNZXDIGINPUTK-BPUTZDHNSA-N
Molecular Weight 294.347 g/mol
SMILES C=12[C@@]([C@](OC(=O)C)([C@](C2)(OC(=O)C)[H])[H])(CC(C1CCCC)=O)[H]
SPLASH splash10-00f0-0900000000-4873697a55f27557560a
Source of Spectrum KC-20-2914-23
Synonyms (1S,2S,6aS)-2-(acetyloxy)-4-butyl-5-oxo-1,2,3,5,6,6a-hexahydro-1-pentalenyl acetate (5R,6S,7S)-and (5S,6S,7S)-6,7-Diacetoxy-2-butylbicyclo[3.3.0]oct-1-en-3-one
Wiley ID 826562