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3-Acetonyl-2,3,4,5-tetrahydro-1H-benzocycloheptene-2-carboxaldehyde
SpectraBase Compound ID JpP9rEQyI8o
InChI InChI=1S/C15H18O2/c1-11(17)7-14-8-12-5-3-2-4-6-13(12)9-15(14)10-16/h2-4,6,10,14-15H,5,7-9H2,1H3
InChIKey DZGAUELCWPQHHJ-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dskNj933Zp
Name 3-Acetonyl-2,3,4,5-tetrahydro-1H-benzocycloheptene-2-carboxaldehyde
Alternate Name(s) 3-(2-oxopropyl)-2,3,4,5-tetrahydro-1H-benzo[a]cycloheptene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-11(17)7-14-8-12-5-3-2-4-6-13(12)9-15(14)10-16/h2-4,6,10,14-15H,5,7-9H2,1H3
InChIKey DZGAUELCWPQHHJ-UHFFFAOYSA-N
Molecular Weight 230.307 g/mol
SMILES C12=C(C=CC=CC2)CC(C(C1)CC(=O)C)C=O
SPLASH splash10-002f-2970000000-0f68c35febaabb56eb94
Source of Spectrum K-2001-322-16
Wiley ID 1578554