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(R)-1-(Allyloxymethyl)pent-2-ynyl 4-nitrobenzoate
SpectraBase Compound ID ItsCrZBlsoh
InChI InChI=1S/C16H17NO5/c1-3-5-6-15(12-21-11-4-2)22-16(18)13-7-9-14(10-8-13)17(19)20/h4,7-10,15H,2-3,11-12H2,1H3/t15-/m1/s1
InChIKey BJDISABJTKXSCP-OAHLLOKOSA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bln0FHzUBuZ
Name (R)-1-(Allyloxymethyl)pent-2-ynyl 4-nitrobenzoate
Alternate Name(s) (R)-1-(allyloxy)hex-3-yn-2-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-3-5-6-15(12-21-11-4-2)22-16(18)13-7-9-14(10-8-13)17(19)20/h4,7-10,15H,2-3,11-12H2,1H3/t15-/m1/s1
InChIKey BJDISABJTKXSCP-OAHLLOKOSA-N
Literature Reference DOI 10.1021/ol8029142
Molecular Weight 303.314 g/mol
SMILES c1(ccc([N+]([O-])=O)cc1)C(=O)O[C@@](COCC=C)(C#CCC)[H]
SPLASH splash10-0udi-1900000000-5465ba2f53c251fa711f
Source of Spectrum A1-11-935/SMS6-18
Wiley ID 1756612