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1-(1-but-3-ynoxy-2-nitro-ethyl)-4-chloranyl-benzene
SpectraBase Compound ID 5XsocvuB0NS
InChI InChI=1S/C12H12ClNO3/c1-2-3-8-17-12(9-14(15)16)10-4-6-11(13)7-5-10/h1,4-7,12H,3,8-9H2
InChIKey MBBSTPYBQVBLNS-UHFFFAOYSA-N
Mol Weight 253.68 g/mol
Molecular Formula C12H12ClNO3
Exact Mass 253.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49ih605scS
Name 1-(1-but-3-ynoxy-2-nitro-ethyl)-4-chloranyl-benzene
Alternate Name(s) 1-(1-but-3-ynoxy-2-nitro-ethyl)-4-chloro-benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c1-2-3-8-17-12(9-14(15)16)10-4-6-11(13)7-5-10/h1,4-7,12H,3,8-9H2
InChIKey MBBSTPYBQVBLNS-UHFFFAOYSA-N
Molecular Weight 253.685 g/mol
SMILES C(N(=O)=O)C(c1ccc(cc1)Cl)OCCC#C
SPLASH splash10-03e3-0900000000-6cdf43dc57533b9b6545
Source of Spectrum SK-28-3531-3
Wiley ID 880149