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1,2-O-Isopropylidene-3-phthalimidohext-4-yne-1,2-diiol isomer
SpectraBase Compound ID KhmBLWHXiEG
InChI InChI=1S/C17H17NO4/c1-4-7-13(14-10-21-17(2,3)22-14)18-15(19)11-8-5-6-9-12(11)16(18)20/h5-6,8-9,13-14H,10H2,1-3H3/t13?,14-/m1/s1
InChIKey WJMFRKHFWSRXNL-ARLHGKGLSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32jvpikMpOr
Name 1,2-O-Isopropylidene-3-phthalimidohext-4-yne-1,2-diiol isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c1-4-7-13(14-10-21-17(2,3)22-14)18-15(19)11-8-5-6-9-12(11)16(18)20/h5-6,8-9,13-14H,10H2,1-3H3/t13?,14-/m1/s1
InChIKey WJMFRKHFWSRXNL-ARLHGKGLSA-N
Molecular Weight 299.326 g/mol
SMILES C1(N(C(c2ccccc12)=O)C([C@@]1(OC(C)(C)OC1)[H])C#CC)=O
SPLASH splash10-0udi-3910000000-d64ba4573473a192720b
Source of Spectrum SO-0-109-33
Wiley ID 872834