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object
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_id
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749KLmc2DyX
spectrumID
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749KLmc2DyX
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specType
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131072
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dbLocation
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WMS3X:465754:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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3-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-alanyl)amino]-6-phenyl-
SpectraBase Compound ID Ju8ag7EVBLY
InChI InChI=1S/C20H28N2O4/c1-14(23)11-12-17(13-16-9-7-6-8-10-16)22-18(24)15(2)21-19(25)26-20(3,4)5/h6-12,15,17H,13H2,1-5H3,(H,21,25)(H,22,24)/b12-11+
InChIKey MQSLTLWMBMPXMH-VAWYXSNFSA-N
Mol Weight 360.45 g/mol
Molecular Formula C20H28N2O4
Exact Mass 360.204907 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 749KLmc2DyX
Name 3-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-phenyl-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O4
InChI InChI=1S/C20H28N2O4/c1-14(23)11-12-17(13-16-9-7-6-8-10-16)22-18(24)15(2)21-19(25)26-20(3,4)5/h6-12,15,17H,13H2,1-5H3,(H,21,25)(H,22,24)/b12-11+
InChIKey MQSLTLWMBMPXMH-VAWYXSNFSA-N
Molecular Weight 360.454 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)C)=O)C(Cc1ccccc1)\C=C\C(=O)C
SPLASH splash10-0005-9210000000-674a40c0ee4a9b8a169e
Synonyms 3-Hexen-2-one, (5S)-5-[(t-butoxycarbonyl-(S)-alanyl)amino]-6-phenyl- N-[1-oxo-1-[[(E)-5-oxo-1-phenylhex-3-en-2-yl]amino]propan-2-yl]carbamic acid tert-butyl ester N-[2-[[(E)-1-benzyl-4-keto-pent-2-enyl]amino]-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester tert-Butyl N-[1-oxidanylidene-1-[[(E)-5-oxidanylidene-1-phenyl-hex-3-en-2-yl]amino]propan-2-yl]carbamate tert-Butyl N-[1-oxo-1-[[(E)-5-oxo-1-phenylhex-3-en-2-yl]amino]propan-2-yl]carbamate tert-Butyl N-[2-[[(E)-1-benzyl-4-oxo-pent-2-enyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Wiley ID 1491502
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