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object
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_id
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2pUCAeSLGBC
spectrumID
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2pUCAeSLGBC
cost
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specType
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131072
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dbLocation
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WMS3X:324966:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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(3S,1"S)3-(1"-Acetylethyl)-3-[1'-oxo-2'-methoxy-3'-(methoxycarbonyl)prop-2'-en-1'-yl]-1,2-diazacyclopentane isomer
SpectraBase Compound ID 7Tj2BMZEqmv
InChI InChI=1S/C13H18N2O5/c1-8(9(2)16)13(5-6-14-15-13)12(18)10(19-3)7-11(17)20-4/h7-8H,5-6H2,1-4H3/b10-7+/t8-,13+/m1/s1
InChIKey LXSKZDOAKNVWMH-APBVJXICSA-N
Mol Weight 282.3 g/mol
Molecular Formula C13H18N2O5
Exact Mass 282.121572 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pUCAeSLGBC
Name (3S,1"S)3-(1"-Acetylethyl)-3-[1'-oxo-2'-methoxy-3'-(methoxycarbonyl)prop-2'-en-1'-yl]-1,2-diazacyclopentane isomer
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N2O5
InChI InChI=1S/C13H18N2O5/c1-8(9(2)16)13(5-6-14-15-13)12(18)10(19-3)7-11(17)20-4/h7-8H,5-6H2,1-4H3/b10-7+/t8-,13+/m1/s1
InChIKey LXSKZDOAKNVWMH-APBVJXICSA-N
Molecular Weight 282.296 g/mol
SMILES [C@]1(C(\C(=C/C(=O)OC)OC)=O)(N=NCC1)[C@@](C(=O)C)(C)[H]
SPLASH splash10-0ikc-5950000000-8c0c6c28f174fe61684e
Source of Spectrum F-52-10254-8
Synonyms (3S,1''S)-3-(1''-Acetylethyl)-3-[1'-oxo-2'-methoxy-3'-(methoxycarbonyl)prop-2'-en-1'-yl]-1,2-diazacyclopentane isomer (3S,1S)-3-(1-Acetylethyl)-3-[1-oxo-2-methoxy-3-(methoxycarbonyl)prop-2-en-1-yl]-1,2-diazacyclopentane isomer 3-(1-Acetylethyl)-3-[1-oxo-2-methoxy-3-(methoxycarbonyl)prop-2-en-1-yl]-1,2-diazacyclopentane isomer Methyl (2E)-3-methoxy-4-{(3S)-3-[(1S)-1-methyl-2-oxopropyl]-4,5-dihydro-3H-pyrazol-3-yl}-4-oxo-2-butenoate
Wiley ID 798013
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