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Bicyclo[4.1.0]hept-2-ene-7-carboxaldehyde, 7-methyl-3-[(phenylmethoxy)methyl]-, (1.alpha.,6.alpha.,7.alpha.)-(.+-.)-
SpectraBase Compound ID 43v3Q6a4VDN
InChI InChI=1S/C17H20O2/c1-17(12-18)15-8-7-14(9-16(15)17)11-19-10-13-5-3-2-4-6-13/h2-6,9,12,15-16H,7-8,10-11H2,1H3/t15-,16+,17+/m1/s1
InChIKey NHTUHIVPCBNDPM-IKGGRYGDSA-N
Mol Weight 256.34 g/mol
Molecular Formula C17H20O2
Exact Mass 256.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JzW8LIhE2I3
Name Bicyclo[4.1.0]hept-2-ene-7-carboxaldehyde, 7-methyl-3-[(phenylmethoxy)methyl]-, (1.alpha.,6.alpha.,7.alpha.)-(.+-.)-
Alternate Name(s) (1.alpha.,6.alpha.,7.alpha.)-3-[(benzyloxy)methyl]-7-methylbicyclo[4.1.0]hept-2-ene-7-carboxaldehyde (1S,6R,7S)-3-[(benzyloxy)methyl]-7-methylbicyclo[4.1.0]hept-2-ene-7-carbaldehyde
CAS Registry Number 116150-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O2
InChI InChI=1S/C17H20O2/c1-17(12-18)15-8-7-14(9-16(15)17)11-19-10-13-5-3-2-4-6-13/h2-6,9,12,15-16H,7-8,10-11H2,1H3/t15-,16+,17+/m1/s1
InChIKey NHTUHIVPCBNDPM-IKGGRYGDSA-N
Molecular Weight 256.345 g/mol
SMILES [C@@]12([C@](C=O)(C)[C@@]2(CCC(=C1)COCc1ccccc1)[H])[H]
SPLASH splash10-0006-9200000000-e186a6c3fbe2c3183623
Source of Spectrum J-53-4882-14
Wiley ID 1260278