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2-[(5R,6R,7R,8S)-6-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID D49zns97q2B
InChI InChI=1S/C14H14O3/c1-8-9(6-7-15)14-12(16)10-4-2-3-5-11(10)13(8)17-14/h2-5,7-9,13-14H,6H2,1H3/t8-,9-,13+,14-/m1/s1
InChIKey NWNNRNINFIOJMY-NHPAQXRMSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UKxyvcBZ19
Name 2-[(5R,6R,7R,8S)-6-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
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Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-8-9(6-7-15)14-12(16)10-4-2-3-5-11(10)13(8)17-14/h2-5,7-9,13-14H,6H2,1H3/t8-,9-,13+,14-/m1/s1
InChIKey NWNNRNINFIOJMY-NHPAQXRMSA-N
Literature Reference DOI 10.1002/anie.201410723
Molecular Weight 230.263 g/mol
SMILES c1ccc2[C@@]3([C@@]([C@]([C@](C(=O)c2c1)(O3)[H])(CC=O)[H])(C)[H])[H]
SPLASH splash10-00kb-2900000000-2e2c3f45c6a1256014b8
Source of Spectrum ACI-54-3043/SM5-4b
Synonyms 2-((5S,6R,7R,8R)-6-methyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl)acetaldehyde
Wiley ID 1760429