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1H-Pyrrolizine-7-methanol, 1-(acetyloxy)-2,3,5,7a-tetrahydro-, acetate (ester), (1R-trans)-
SpectraBase Compound ID 4rZSdslbk8b
InChI InChI=1S/C12H17NO4/c1-8(14)16-7-10-3-5-13-6-4-11(12(10)13)17-9(2)15/h3,11-12H,4-7H2,1-2H3/t11-,12-/m1/s1
InChIKey WIDNPNFLUCYNMB-VXGBXAGGSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRf0zLPGC0d
Name 1H-Pyrrolizine-7-methanol, 1-(acetyloxy)-2,3,5,7a-tetrahydro-, acetate (ester), (1R-trans)-
Alternate Name(s) Retronecine acetate ester Retronecine, diacetate Retronecine, diacetate (ester) [(1R,7aR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl]methyl acetate
CAS Registry Number 25471-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-8(14)16-7-10-3-5-13-6-4-11(12(10)13)17-9(2)15/h3,11-12H,4-7H2,1-2H3/t11-,12-/m1/s1
InChIKey WIDNPNFLUCYNMB-VXGBXAGGSA-N
Molecular Weight 239.271 g/mol
SMILES C=1([C@]2(N(CC[C@]2(OC(=O)C)[H])CC1)[H])COC(=O)C
SPLASH splash10-00kf-7900000000-f1a5b6027741ab7d966d
Source of Spectrum KO-5-178-2
Wiley ID 1241821