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(E)-3-[(2S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]but-2-enal
SpectraBase Compound ID F9tWPsVSx26
InChI InChI=1S/C15H22O2/c1-11(6-9-16)12-10-13-14(2,3)7-5-8-15(13,4)17-12/h6,9-10,12H,5,7-8H2,1-4H3/b11-6+/t12-,15-/m0/s1
InChIKey AOZQVDIKYKNUHL-BXVLGRBHSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Asux9KULt2l
Name (E)-3-[(2S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]but-2-enal
CAS Registry Number 90394-79-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-11(6-9-16)12-10-13-14(2,3)7-5-8-15(13,4)17-12/h6,9-10,12H,5,7-8H2,1-4H3/b11-6+/t12-,15-/m0/s1
InChIKey AOZQVDIKYKNUHL-BXVLGRBHSA-N
Molecular Weight 234.339 g/mol
SMILES C1=2[C@@](O[C@@](C2)(\C(=C\C=O)C)[H])(CCCC1(C)C)C
SPLASH splash10-066u-9270000000-315a06c1d1111badb7e1
Source of Spectrum H-67-182-0
Synonyms (E)-3-[(2S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl]-2-butenal (E)-3-[(2S,7aS)-4,4,7a-trimethyl-2,5,6,7-tetrahydrobenzofuran-2-yl]but-2-enal
Wiley ID 1236315