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(S,S)-2-[(S)-4,5-Dihydro-3H-dinaphtho-[1,2-C:2',1'-E]-azepino]-1-[(S)-4,5-dihydro-3H-dinaphtho-[1.2-C:2',1'-E]-phosphepino-borane]-ethane

View entire compound with spectra: 3 NMR

(S,S)-2-[(S)-4,5-Dihydro-3H-dinaphtho-[1,2-C:2',1'-E]-azepino]-1-[(S)-4,5-dihydro-3H-dinaphtho-[1.2-C:2',1'-E]-phosphepino-borane]-ethane
SpectraBase Compound ID E21QxDfs3vg
InChI InChI=1S/C46H39BNP/c47-49(29-37-23-19-33-11-3-7-15-41(33)45(37)46-38(30-49)24-20-34-12-4-8-16-42(34)46)26-25-48-27-35-21-17-31-9-1-5-13-39(31)43(35)44-36(28-48)22-18-32-10-2-6-14-40(32)44/h1-24,49H,25-30,47H2
InChIKey RIIICMVZSKZHGK-UHFFFAOYSA-N
Mol Weight 647.6 g/mol
Molecular Formula C46H39BNP
Exact Mass 647.291317 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46dAMdaWSLv
Name (S,S)-2-[(S)-4,5-Dihydro-3H-dinaphtho-[1,2-C:2',1'-E]-azepino]-1-[(S)-4,5-dihydro-3H-dinaphtho-[1.2-C:2',1'-E]-phosphepino-borane]-ethane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 647.291317428 u
Formula C46H39BNP
InChI InChI=1S/C46H39BNP/c47-49(29-37-23-19-33-11-3-7-15-41(33)45(37)46-38(30-49)24-20-34-12-4-8-16-42(34)46)26-25-48-27-35-21-17-31-9-1-5-13-39(31)43(35)44-36(28-48)22-18-32-10-2-6-14-40(32)44/h1-24,49H,25-30,47H2
InChIKey RIIICMVZSKZHGK-UHFFFAOYSA-N
Molecular Weight 647.609 g/mol
Nominal Mass 647 u
SMILES C(P1(B)CC2=CC=C3C=CC=CC3=C2C2=C3C=CC=CC3=CC=C2C1)CN1CC2=C(C3=C(C1)C=CC1=CC=CC=C31)C1=C(C=C2)C=CC=C1