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(2R,3R)-3-hydroxy-7-methyl-2-propyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SpectraBase Compound ID AnmTuSKtprp
InChI InChI=1S/C13H17NO3/c1-3-4-11-12(15)13(16)14-9-7-8(2)5-6-10(9)17-11/h5-7,11-12,15H,3-4H2,1-2H3,(H,14,16)/t11-,12-/m1/s1
InChIKey LWSIBJFJMGMCDW-VXGBXAGGSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4o2VFzeOVmW
Name (2R,3R)-3-hydroxy-7-methyl-2-propyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
Alternate Name(s) (2R,3R)-7-methyl-3-oxidanyl-2-propyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-3-4-11-12(15)13(16)14-9-7-8(2)5-6-10(9)17-11/h5-7,11-12,15H,3-4H2,1-2H3,(H,14,16)/t11-,12-/m1/s1
InChIKey LWSIBJFJMGMCDW-VXGBXAGGSA-N
Molecular Weight 235.283 g/mol
SMILES N1c2c(O[C@@]([C@](C1=O)(O)[H])(CCC)[H])ccc(c2)C
SPLASH splash10-0ir0-0910000000-ca512e2f91bd0a1b12ed
Source of Spectrum F-55-9217-11
Wiley ID 838710