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Diphosphoric acid, 2-butenyl tripropyl ester, (E)-
SpectraBase Compound ID 2WEh9J4Bfes
InChI InChI=1S/C13H28O7P2/c1-5-9-13-19-22(15,18-12-8-4)20-21(14,16-10-6-2)17-11-7-3/h5,9H,6-8,10-13H2,1-4H3/b9-5+
InChIKey FBWQEABKGIKNLP-WEVVVXLNSA-N
Mol Weight 358.31 g/mol
Molecular Formula C13H28O7P2
Exact Mass 358.131027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7apm3SyiRkW
Name Diphosphoric acid, 2-butenyl tripropyl ester, (E)-
Alternate Name(s) (2E)-2-butenyl tripropyl diphosphate Crotyl tripropyl pyrophosphate
CAS Registry Number 121197-99-7
Comments Less than 3 mono-isotopic peaks
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Formula C13H28O7P2
InChI InChI=1S/C13H28O7P2/c1-5-9-13-19-22(15,18-12-8-4)20-21(14,16-10-6-2)17-11-7-3/h5,9H,6-8,10-13H2,1-4H3/b9-5+
InChIKey FBWQEABKGIKNLP-WEVVVXLNSA-N
Molecular Weight 358.308 g/mol
SMILES C(OP(OP(=O)(OC\C=C\C)OCCC)(=O)OCCC)CC
SPLASH splash10-004i-0901000000-65895b93ca566123ffe3
Source of Spectrum AJ-61-1712-7
Wiley ID 1346770