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2-(1'-Hydroxyheptyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-dibenzyl-1H-1,3,2-benzodiazaphosphole 2-Oxide
SpectraBase Compound ID EL15xWSVtTh
InChI InChI=1S/C27H39N2O2P/c1-2-3-4-11-20-27(30)32(31)28(21-23-14-7-5-8-15-23)25-18-12-13-19-26(25)29(32)22-24-16-9-6-10-17-24/h5-10,14-17,25-27,30H,2-4,11-13,18-22H2,1H3
InChIKey QVZWVEIJKQHWIA-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H39N2O2P
Exact Mass 454.274915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuoxultXJBW
Name 2-(1'-Hydroxyheptyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-dibenzyl-1H-1,3,2-benzodiazaphosphole 2-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39N2O2P
InChI InChI=1S/C27H39N2O2P/c1-2-3-4-11-20-27(30)32(31)28(21-23-14-7-5-8-15-23)25-18-12-13-19-26(25)29(32)22-24-16-9-6-10-17-24/h5-10,14-17,25-27,30H,2-4,11-13,18-22H2,1H3
InChIKey QVZWVEIJKQHWIA-UHFFFAOYSA-N
Molecular Weight 454.595 g/mol
SMILES OC(P1(N(C2CCCCC2N1Cc1ccccc1)Cc1ccccc1)=O)CCCCCC
SPLASH splash10-0006-8039000000-9b83e91cc1941d6f6836
Source of Spectrum J-60-937-3
Synonyms 1-(1,3-dibenzyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl)-1-heptanol
Wiley ID 1388826