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2-[(5R,6R,7R,8S)-6-isopropyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
SpectraBase Compound ID BG2H0nxYYRE
InChI InChI=1S/C16H18O3/c1-9(2)13-12(7-8-17)16-14(18)10-5-3-4-6-11(10)15(13)19-16/h3-6,8-9,12-13,15-16H,7H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKey INNDIAVBONUHKQ-RRCSTGOVSA-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 1N4T6Gx2SyU
Name 2-[(5R,6R,7R,8S)-6-isopropyl-9-oxo-6,7,8,9-tetrahydro-5H-5,8-epoxybenzo[7]annulen-7-yl]acetaldehyde
Alternate Name(s) 2-((5S,6R,7R,8R)-6-isopropyl-9-oxo-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/c1-9(2)13-12(7-8-17)16-14(18)10-5-3-4-6-11(10)15(13)19-16/h3-6,8-9,12-13,15-16H,7H2,1-2H3/t12-,13-,15-,16-/m1/s1
InChIKey INNDIAVBONUHKQ-RRCSTGOVSA-N
Molecular Weight 258.317 g/mol
SMILES c1ccc2[C@@]3([C@](C(C)C)([C@]([C@](O3)([H])C(=O)c2c1)(CC=O)[H])[H])[H]
SPLASH splash10-0002-0900000000-d2653436ba0e043bfddd
Source of Spectrum ACI-54-3043/SM9-4e
Wiley ID 1760431