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cis-5-(6-Formylhexyl)-trans-4-(cis-1-octenyl)-2,ref.-3-diphenylisoxazolidine
SpectraBase Compound ID C13tx0L4iDr
InChI InChI=1S/C30H41NO2/c1-2-3-4-5-7-16-23-28-29(24-17-8-6-9-18-25-32)33-31(27-21-14-11-15-22-27)30(28)26-19-12-10-13-20-26/h10-16,19-23,25,28-30H,2-9,17-18,24H2,1H3
InChIKey UTKMFHRKXSADTA-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C30H41NO2
Exact Mass 447.31373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XOAENnW3EG
Name cis-5-(6-Formylhexyl)-trans-4-(cis-1-octenyl)-2,ref.-3-diphenylisoxazolidine
Alternate Name(s) (3s,4s,5r)-5-(6-formylhexyl)-4-(1-octenyl)-2,3-diphenylisoxazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H41NO2
InChI InChI=1S/C30H41NO2/c1-2-3-4-5-7-16-23-28-29(24-17-8-6-9-18-25-32)33-31(27-21-14-11-15-22-27)30(28)26-19-12-10-13-20-26/h10-16,19-23,25,28-30H,2-9,17-18,24H2,1H3
InChIKey UTKMFHRKXSADTA-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 447.663 g/mol
SMILES C(CCC1C(C=CCCCCCC)C(N(O1)c1ccccc1)c1ccccc1)CCCC=O
SPLASH splash10-0002-4900100000-4a48e9fa48526a0ab2b8
Source of Spectrum SRH-2022-10273-0
Wiley ID 1831892