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(4S)-4-Benzyl-5,5-dimethyl-2,2-pentamethylene-3-[(5R)-3-phenyl-2-isoxazoline-5-carbonyl]oxazolidine
SpectraBase Compound ID CYDJmup5lvI
InChI InChI=1S/C27H32N2O3/c1-26(2)24(18-20-12-6-3-7-13-20)29(27(32-26)16-10-5-11-17-27)25(30)23-19-22(28-31-23)21-14-8-4-9-15-21/h3-4,6-9,12-15,23-24H,5,10-11,16-19H2,1-2H3/t23-,24+/m1/s1
InChIKey VAXVMCMETBXNAY-RPWUZVMVSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H32N2O3
Exact Mass 432.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4NEITDS49E
Name (4S)-4-Benzyl-5,5-dimethyl-2,2-pentamethylene-3-[(5R)-3-phenyl-2-isoxazoline-5-carbonyl]oxazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O3
InChI InChI=1S/C27H32N2O3/c1-26(2)24(18-20-12-6-3-7-13-20)29(27(32-26)16-10-5-11-17-27)25(30)23-19-22(28-31-23)21-14-8-4-9-15-21/h3-4,6-9,12-15,23-24H,5,10-11,16-19H2,1-2H3/t23-,24+/m1/s1
InChIKey VAXVMCMETBXNAY-RPWUZVMVSA-N
Molecular Weight 432.564 g/mol
SMILES C12(N([C@](C(O2)(C)C)(Cc2ccccc2)[H])C([C@@]2(ON=C(C2)c2ccccc2)[H])=O)CCCCC1
SPLASH splash10-00kg-3953300000-cd9f9d32d44f3034800e
Source of Spectrum F-48-8656-5
Synonyms (3S)-3-benzyl-2,2-dimethyl-4-{[(5R)-3-phenyl-4,5-dihydro-5-isoxazolyl]carbonyl}-1-oxa-4-azaspiro[4.5]decane
Wiley ID 1382445