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cis-5-(6-Formylhexyl)-trans-4-(trans-3-hydroxy-1-octenyl)-2,ref.-3-diphenylisoxazolidine
SpectraBase Compound ID 3DL4cy66vB1
InChI InChI=1S/C30H41NO3/c1-2-3-9-20-27(33)22-23-28-29(21-14-5-4-6-15-24-32)34-31(26-18-12-8-13-19-26)30(28)25-16-10-7-11-17-25/h7-8,10-13,16-19,22-24,27-30,33H,2-6,9,14-15,20-21H2,1H3
InChIKey KSJMGYIRHBDFIQ-UHFFFAOYSA-N
Mol Weight 463.7 g/mol
Molecular Formula C30H41NO3
Exact Mass 463.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzhtPskczQU
Name cis-5-(6-Formylhexyl)-trans-4-(trans-3-hydroxy-1-octenyl)-2,ref.-3-diphenylisoxazolidine
Alternate Name(s) (3s,4s,5r)-5-(6-formylhexyl)-4-(3-hydroxy-1-octenyl)-2,3-diphenylisoxazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H41NO3
InChI InChI=1S/C30H41NO3/c1-2-3-9-20-27(33)22-23-28-29(21-14-5-4-6-15-24-32)34-31(26-18-12-8-13-19-26)30(28)25-16-10-7-11-17-25/h7-8,10-13,16-19,22-24,27-30,33H,2-6,9,14-15,20-21H2,1H3
InChIKey KSJMGYIRHBDFIQ-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 463.662 g/mol
SMILES OC(C=CC1C(CCCCCCC=O)ON(C1c1ccccc1)c1ccccc1)CCCCC
SPLASH splash10-000t-4900200000-0c9dffccc61ea41fb837
Source of Spectrum SRH-2022-10275-0
Wiley ID 1831894