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Methyl 3-[12'-ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-yl)-3-oxo-2-(triphenylphosphoranyidene)-[1-(13C)]-propanoate

View entire compound with spectra: 2 MS (GC)

Methyl 3-[12'-ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-yl)-3-oxo-2-(triphenylphosphoranyidene)-[1-(13C)]-propanoate
SpectraBase Compound ID D4rQ5x9DQuu
InChI InChI=1S/C40H33O3P/c1-3-30-35-31-23-13-15-25-33(31)36(34-26-16-14-24-32(34)35)37(30)38(41)39(40(42)43-2)44(27-17-7-4-8-18-27,28-19-9-5-10-20-28)29-21-11-6-12-22-29/h3-26,30,35-37H,1H2,2H3/t30?,35-,36?,37-/m0/s1/i40+1
InChIKey YVONDNCUVBANJA-IHWBIDPUSA-N
Mol Weight 593.7 g/mol
Molecular Formula C3913CH33O3P
Exact Mass 593.220087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2bXj9264AD
Name Methyl 3-[12'-ethenyl- 9',10'-dihydro-9',10'-ethanoanthracene-11'-yl)-3-oxo-2-(triphenylphosphoranyidene)-[1-(13C)]-propanoate
Alternate Name(s) Methyl 3-(12'-ethenyl-9',10'-dihydro-9',10'-ethanoanthracene-11'-ylidene)-3-oxo-2-(triphenylphosphoranylidene)-[1-¹³C]propanoate
Comments Original formula: C39[13C]H33O3P
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H33O3P
InChI InChI=1S/C40H33O3P/c1-3-30-35-31-23-13-15-25-33(31)36(34-26-16-14-24-32(34)35)37(30)38(41)39(40(42)43-2)44(27-17-7-4-8-18-27,28-19-9-5-10-20-28)29-21-11-6-12-22-29/h3-26,30,35-37H,1H2,2H3/t30?,35-,36?,37-/m0/s1/i40+1
InChIKey YVONDNCUVBANJA-IHWBIDPUSA-N
Molecular Weight 593.667 g/mol
SMILES C(C([C@@]1(C2c3ccccc3C(C1C=C)c1ccccc21)[H])=O)(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[13C](=O)OC
SPLASH splash10-03fr-0943000000-d5839862de21195fc2f3
Source of Spectrum B-52-671-0
Wiley ID 746494