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(3aS,7aS)-1,3-bis(Butoxycarbonyl)-2-deuteriocyclohexa[4,5-a]imidazolidine
SpectraBase Compound ID KZSuS2a1vaO
InChI InChI=1S/C17H30N2O4/c1-16(2,3)22-14(20)18-11-19(15(21)23-17(4,5)6)13-10-8-7-9-12(13)18/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1/i11D
InChIKey ZKDQRZKUWOPNGD-FQUJGMDISA-N
Mol Weight 327.44 g/mol
Molecular Formula C17H29DN2O4
Exact Mass 327.226834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KunjFsWMFaL
Name (3aS,7aS)-1,3-bis(Butoxycarbonyl)-2-deuteriocyclohexa[4,5-a]imidazolidine
Alternate Name(s) 1,3-bis(Butoxycarbonyl)-2-deuteriocyclohexa[4,5-a]imidazolidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H29DN2O4
InChI InChI=1S/C17H30N2O4/c1-16(2,3)22-14(20)18-11-19(15(21)23-17(4,5)6)13-10-8-7-9-12(13)18/h12-13H,7-11H2,1-6H3/t12-,13-/m0/s1/i11D
InChIKey ZKDQRZKUWOPNGD-FQUJGMDISA-N
Molecular Weight 327.443 g/mol
SMILES C1(N([C@@]2([C@@](N1C(OC(C)(C)C)=O)(CCCC2)[H])[H])C(OC(C)(C)C)=O)[D]
SPLASH splash10-0a4i-9040000000-ad96c63a9a614b12117d
Source of Spectrum D1-1996-1111-5
Wiley ID 834838