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(3aS,5aS,8bR)-8b-[(3-2H1)prop-2-en-1-yl]-hexahydro-3,4-dioxa-8a-aza-as-indacen-2-one
SpectraBase Compound ID InZdMT1TIgM
InChI InChI=1S/C12H17NO3/c1-2-5-12-7-10(14)16-11(12)15-8-9-4-3-6-13(9)12/h2,9,11H,1,3-8H2/t9-,11-,12+/m0/s1/i1D/b2-1+
InChIKey YPPLMHWBXVGVBV-GDRDGPIESA-N
Mol Weight 224.28 g/mol
Molecular Formula C12H16DNO3
Exact Mass 224.12712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNNlk2CeeCr
Name (3aS,5aS,8bR)-8b-[(3-2H1)prop-2-en-1-yl]-hexahydro-3,4-dioxa-8a-aza-as-indacen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16DNO3
InChI InChI=1S/C12H17NO3/c1-2-5-12-7-10(14)16-11(12)15-8-9-4-3-6-13(9)12/h2,9,11H,1,3-8H2/t9-,11-,12+/m0/s1/i1D/b2-1+
InChIKey YPPLMHWBXVGVBV-GDRDGPIESA-N
Molecular Weight 224.278 g/mol
SMILES C1[C@]2([H])CCCN2[C@@]2(CC(O[C@@]2(O1)[H])=O)C\C=C\[D]
SPLASH splash10-0019-0900000000-43c848dcc19b3f8e1250
Source of Spectrum A1-11-4224/SMS14-21
Wiley ID 1757449