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(3aS,4R,5S,6S,6aR)-2,2,6-trimethyl-5-oxidanidyl-4-phenyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium

View entire compound with spectra: 1 MS (GC)

(3aS,4R,5S,6S,6aR)-2,2,6-trimethyl-5-oxidanidyl-4-phenyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
SpectraBase Compound ID KurLRbU0TVE
InChI InChI=1S/C21H25NO3/c1-15-19-20(25-21(2,3)24-19)18(17-12-8-5-9-13-17)22(15,23)14-16-10-6-4-7-11-16/h4-13,15,18-20H,14H2,1-3H3/t15-,18+,19+,20-,22-/m0/s1
InChIKey PNACNRQSJMMNKJ-ILDNTTHESA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DG9XOU1aZj
Name (3aS,4R,5S,6S,6aR)-2,2,6-trimethyl-5-oxidanidyl-4-phenyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-15-19-20(25-21(2,3)24-19)18(17-12-8-5-9-13-17)22(15,23)14-16-10-6-4-7-11-16/h4-13,15,18-20H,14H2,1-3H3/t15-,18+,19+,20-,22-/m0/s1
InChIKey PNACNRQSJMMNKJ-ILDNTTHESA-N
Molecular Weight 339.435 g/mol
SMILES [C@]1([N@+]([C@]([C@]2(OC(O[C@@]12[H])(C)C)[H])(C)[H])([O-])Cc1ccccc1)(c1ccccc1)[H]
SPLASH splash10-000x-9001000000-2ae8210c2f6fc06d3cbc
Source of Spectrum K1-2001-1305-13
Synonyms (3aS,4R,5S,6S,6aR)-2,2,6-trimethyl-5-oxido-4-phenyl-5-(phenylmethyl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium (3aS,4R,5S,6S,6aR)-5-benzyl-2,2,6-trimethyl-5-oxido-4-phenyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-ium
Wiley ID 814526