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(1alpha,3beta,5alpha,5abeta,6alpha,9alpha,9abeta)-5a,6,9,9a-TETRAHYDRO-N-(TRIPHENYLPHOSPHORANYLIDENE)-6,9-METHANO-1,5-NITRILO-1H,3H-1,3,5,2,4-BENZOTRITHIADIAZEPIN-3-AMINE

View entire compound with spectra: 1 FTIR

(1alpha,3beta,5alpha,5abeta,6alpha,9alpha,9abeta)-5a,6,9,9a-TETRAHYDRO-N-(TRIPHENYLPHOSPHORANYLIDENE)-6,9-METHANO-1,5-NITRILO-1H,3H-1,3,5,2,4-BENZOTRITHIADIAZEPIN-3-AMINE
SpectraBase Compound ID KSJIze4HoBg
InChI InChI=1S/C25H23N4PS3/c1-4-10-21(11-5-1)30(22-12-6-2-7-13-22,23-14-8-3-9-15-23)26-33-28-31-24-19-16-17-20(18-19)25(24)32(27-31)29-33/h1-17,19-20,24-25H,18H2/t19-,20+,24-,25+,31?,32?,33?
InChIKey VKIGTPBNXHJGNN-KGTUKLDVSA-N
Mol Weight 506.64 g/mol
Molecular Formula C25H23N4PS3
Exact Mass 506.082247 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6ZpViQ0e5b7
Name (1alpha,3beta,5alpha,5abeta,6alpha,9alpha,9abeta)-5a,6,9,9a-TETRAHYDRO-N-(TRIPHENYLPHOSPHORANYLIDENE)-6,9-METHANO-1,5-NITRILO-1H,3H-1,3,5,2,4-BENZOTRITHIADIAZEPIN-3-AMINE
Source of Sample R. T. Oakley, University of Guelph, Ontario, Canada
CAS Registry Number 87774-65-0
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23N4PS3
InChI InChI=1S/C25H23N4PS3/c1-4-10-21(11-5-1)30(22-12-6-2-7-13-22,23-14-8-3-9-15-23)26-33-28-31-24-19-16-17-20(18-19)25(24)32(27-31)29-33/h1-17,19-20,24-25H,18H2/t19-,20+,24-,25+,31?,32?,33?
InChIKey VKIGTPBNXHJGNN-KGTUKLDVSA-N
Literature Reference CAN. J. CHEM. 61, 2062(1983) Abstract-Chemical Abstracts= 99, 195114Q(1983)
Melting Point >140C (dec.)
Molecular Weight 506.636993
Synonyms 6,9-METHANO-1,5-NITRILO-1H,3H-1,3,5,2,- 4-BENZOTRITHIADIAZEPIN-3-AMINE, 5A,6,9,9A-TETRAHYDRO-N-/TRIPHENYL- PHOSPHORANYLIDENE/-, /1A,3B,5A,5AB,6A,- 9A,9AB/-,
Technique KBr WAFER