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Di-tert- butyl 2-(ethyl 1-cyanoethanoat-1-yl)-3-(triphenylphosphanylidene)butanedioate
SpectraBase Compound ID CvZZ4gP2P1S
InChI InChI=1S/C35H40NO6P/c1-8-40-31(37)28(24-36)29(32(38)41-34(2,3)4)30(33(39)42-35(5,6)7)43(25-18-12-9-13-19-25,26-20-14-10-15-21-26)27-22-16-11-17-23-27/h9-23,28-29H,8H2,1-7H3
InChIKey NCUMHKJVJPZHEF-UHFFFAOYSA-N
Mol Weight 601.7 g/mol
Molecular Formula C35H40NO6P
Exact Mass 601.259325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bKNf5RSKwp
Name Di-tert- butyl 2-(ethyl 1-cyanoethanoat-1-yl)-3-(triphenylphosphanylidene)butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H40NO6P
InChI InChI=1S/C35H40NO6P/c1-8-40-31(37)28(24-36)29(32(38)41-34(2,3)4)30(33(39)42-35(5,6)7)43(25-18-12-9-13-19-25,26-20-14-10-15-21-26)27-22-16-11-17-23-27/h9-23,28-29H,8H2,1-7H3
InChIKey NCUMHKJVJPZHEF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5050A or Finnigan-MAT 8430
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.d24
Molecular Weight 601.680 g/mol
SMILES C(OC(C)(C)C)(C(C(C(=O)OC(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C(OCC)=O)C#N)=O
SPLASH splash10-0a59-9610110000-5ebe2c927d174090a6ac
Source of Spectrum ARK-2008-225-3f
Wiley ID 1869125