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2-[(5R,6R,7R,8S)-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID AHdqLpwPCvq
InChI InChI=1S/C16H18O3/c1-2-5-11-13(8-9-17)16-14(18)10-6-3-4-7-12(10)15(11)19-16/h3-4,6-7,9,11,13,15-16H,2,5,8H2,1H3/t11-,13-,15+,16-/m1/s1
InChIKey ABVJDYRGDAQKGG-XABYNWHXSA-N
Mol Weight 258.32 g/mol
Molecular Formula C16H18O3
Exact Mass 258.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILlDaerJLNq
Name 2-[(5R,6R,7R,8S)-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O3
InChI InChI=1S/C16H18O3/c1-2-5-11-13(8-9-17)16-14(18)10-6-3-4-7-12(10)15(11)19-16/h3-4,6-7,9,11,13,15-16H,2,5,8H2,1H3/t11-,13-,15+,16-/m1/s1
InChIKey ABVJDYRGDAQKGG-XABYNWHXSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 258.317 g/mol
SMILES c1ccc2[C@@]3([C@](CCC)([C@]([C@](O3)([H])C(=O)c2c1)(CC=O)[H])[H])[H]
SPLASH splash10-0002-1900000000-5e5d261299f2cc3cb14d
Source of Spectrum ACI-54-3043/SM7-4c
Synonyms 2-((5S,6R,7R,8R)-9-oxo-6-propyl-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
Wiley ID 1760430