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p, p -Dihexyl-clodronate-disodium salt

View entire compound with spectra: 2 MS (GC)

p, p -Dihexyl-clodronate-disodium salt
SpectraBase Compound ID KcBDAFB4zaM
InChI InChI=1S/C13H28Cl2O6P2.2Na/c1-3-5-7-9-11-20-22(16,17)13(14,15)23(18,19)21-12-10-8-6-4-2;;/h3-12H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+2/p-2
InChIKey FXSVMFLQORCRLV-UHFFFAOYSA-L
Mol Weight 457.18 g/mol
Molecular Formula C13H26Cl2Na2O6P2
Exact Mass 456.037707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRm4FKpZRJW
Name p, p -Dihexyl-clodronate-disodium salt
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26Cl2Na2O6P2
InChI InChI=1S/C13H28Cl2O6P2.2Na/c1-3-5-7-9-11-20-22(16,17)13(14,15)23(18,19)21-12-10-8-6-4-2;;/h3-12H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+2/p-2
InChIKey FXSVMFLQORCRLV-UHFFFAOYSA-L
Molecular Weight 457.178 g/mol
SMILES C(P(O[Na+])(=O)OCCCCCC)(P(O[Na+])(=O)OCCCCCC)(Cl)Cl
SPLASH splash10-005c-9000000000-8bbdaf9adb5aa6dd2f4b
Source of Spectrum SB-49-41-0
Wiley ID 1389141