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Methyl (3S)-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonylamino]pentanoate
SpectraBase Compound ID 1odtXfcWrC7
InChI InChI=1S/C16H25NO5/c1-6-10(9-11(18)21-5)17-12(19)16-8-7-15(4,13(20)22-16)14(16,2)3/h10H,6-9H2,1-5H3,(H,17,19)/t10-,15-,16+/m0/s1
InChIKey WNKAAUAIKFSDTN-CIISACIHSA-N
Mol Weight 311.38 g/mol
Molecular Formula C16H25NO5
Exact Mass 311.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhVSQaRZQli
Name Methyl (3S)-{[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonylamino]pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO5
InChI InChI=1S/C16H25NO5/c1-6-10(9-11(18)21-5)17-12(19)16-8-7-15(4,13(20)22-16)14(16,2)3/h10H,6-9H2,1-5H3,(H,17,19)/t10-,15-,16+/m0/s1
InChIKey WNKAAUAIKFSDTN-CIISACIHSA-N
Molecular Weight 311.378 g/mol
SMILES N(C([C@]12OC(=O)[C@](C2(C)C)(C)CC1)=O)[C@](CC(=O)OC)(CC)[H]
SPLASH splash10-001i-4930000000-4b329913aa31883ac449
Source of Spectrum H-79-1212-17
Synonyms Methyl (3S)-3-({[(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl]carbonyl}amino)pentanoate
Wiley ID 1312385